⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL291680 | 0.84 | — | — | |
| SCHEMBL291760 | 0.82 | DNM1 (0.44) | — | |
| SCHEMBL291724 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL4815894 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL9336290 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL293055 | 0.77 | — | — | |
| SCHEMBL7526104 | 0.77 | CA12 (0.42) | — | |
| SCHEMBL9704656 | 0.76 | — | — | |
| SCHEMBL42387 | 0.74 | CA12 (0.52) | — | |
| SCHEMBL498779 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2128139-B1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO INC (JP) | 2013-08-07 | — | — | EP | disclosed |
| US-8344156-B2 | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2013-01-01 | — | — | US | disclosed |
| US-8158790-B2 | Cyclic amine compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| EP-2036896-B1 | CYCLIC AMINE COMPOUND | DAIICHI SANKYO CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |
| US-7884216-B2 | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-02-08 | — | — | US | disclosed |
| US-20110015406-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2263999-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE | Mitsui Chemicals Agro, Inc. (JP) | 2010-12-22 | — | — | EP | disclosed |
| EP-2010496-B1 | 4-ANILINOQUINOLINE-3-CARBOXAMIDES AS CSF-1R KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2010-08-25 | — | — | EP | disclosed |
| EP-1278735-B1 | 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS | ASTRAZENECA AB (SE) | 2010-06-30 | — | — | EP | disclosed |
| US-20100016612-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC (JP) | 2010-01-21 | — | — | US | disclosed |
| WO-2001064656-A1 | 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS | ASTRAZENECA AB (SE) | 2001-09-07 | — | — | WO | disclosed |
| WO-2001064655-A1 | 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS | ASTRAZENECA AB (SE) | 2001-09-07 | — | — | WO | disclosed |
| WO-2001064654-A1 | PYRIMIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2001-09-07 | — | — | WO | disclosed |
| WO-2001064653-A1 | PYRIMIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2001-09-07 | — | — | WO | disclosed |
| US-6258825-B1 | ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2001-07-10 | — | — | US | disclosed |
| EP-0990653-A1 | 2-OXOIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-04-05 | — | — | EP | disclosed |
| US-5719141-A | HYPOTENSIVE AGENTS | NOVARTIS CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0702004-A2 | 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives | CIBA-GEIGY AG (CH) | 1996-03-20 | — | — | EP | disclosed |
| US-5302711-A | Ester cleavage process for use with β-lactams | ELI LILLY AND COMPANY (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0557035-A2 | An ester cleavage process for use with beta-lactams | ELI LILLY AND COMPANY (US) | 1993-08-25 | — | — | EP | disclosed |