⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28616418 | 0.78 | LTA4H (0.41) | — | |
| SCHEMBL16782647 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL2818335 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL2818333 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL6606014 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL28369275 | 0.73 | LTA4H (0.47) | — | |
| SCHEMBL5274339 | 0.72 | LTA4H (0.41) | — | |
| SCHEMBL3866432 | 0.72 | LTA4H (0.41) | — | |
| SCHEMBL10910725 | 0.71 | ACHE (0.56) | — | |
| SCHEMBL4959168 | 0.71 | CA1 (0.54) | — |
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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107344940-B | BTK inhibitors and uses thereof | 广东东阳光药业有限公司 | 2020-04-21 | — | — | CN | claimed |
| CN-102264693-B | The acrylamide derivative of inhibitor is changed as mitochondrial permeability | CONGENIA S.R.L. (IT) | 2016-01-27 | — | — | CN | claimed |
| CN-102858743-B | Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes | HOFFMANN LA ROCHE | 2015-06-10 | — | — | CN | claimed |
| US-8633206-B2 | Pyrrolo[2,3-D]pyrimidine compounds | PFIZER INC. (US) | 2014-01-21 | — | — | US | claimed |
| CN-101600700-B | Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders | HOFFMANN LA ROCHE | 2013-08-21 | — | — | CN | claimed |
| EP-2488524-B1 | PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS | PFIZER (US) | 2013-07-03 | — | — | EP | claimed |
| CN-102112447-B | HIV integrase inhibitors from pyridoxine | AMBRILIA BIOPHARMA INC | 2013-06-26 | — | — | CN | claimed |
| US-8344018-B2 | Oxindolyl inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2013-01-01 | — | — | US | claimed |
| EP-2488524-A1 | PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS | Pfizer Inc. (US) | 2012-08-22 | — | — | EP | claimed |
| CN-101243050-B | Pyrazolone derivatives | HOFFMANN LA ROCHE | 2012-07-04 | — | — | CN | claimed |
| EP-2091926-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | Novartis AG (CH) | 2009-08-26 | — | — | EP | claimed |
| US-20090005374-A1 | IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS | GILEAD SCIENCES, INC. | 2009-01-01 | — | — | US | claimed |
| WO-2009002534-A1 | IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS | GILEAD COLORADO, INC. (US) | 2008-12-31 | — | — | WO | claimed |
| CN-101243050-A | Pyrazolone derivatives | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | claimed |
| WO-2008063912-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2008-05-29 | — | — | WO | claimed |
| US-20070049574-A1 | New pyrazolones as 11b-HSD1 inhibitors for diabetes | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-01 | — | — | US | claimed |
| EP-0186043-B1 | MILBEMYCIN DERIVATIVES WITH PESTICIDE PROPERTIES | CIBA-GEIGY AG (CH) | 1991-06-19 | — | — | EP | claimed |
| US-4897416-A | 5-OXIMINO-13B-CARBONYLTHIOMILBEMYCIN DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1990-01-30 | — | — | US | claimed |
| EP-0279783-A1 | Insecticides and parasiticides | CIBA-GEIGY AG (CH) | 1988-08-24 | — | — | EP | claimed |
| EP-0186043-A1 | Milbemycin derivatives with pesticide properties | CIBA-GEIGY AG (CH) | 1986-07-02 | — | — | EP | claimed |