⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3769137 | 0.97 | — | — | |
| SCHEMBL24766064 | 0.82 | — | — | |
| SCHEMBL18410955 | 0.82 | — | — | |
| SCHEMBL6247637 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL18397221 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL3758972 | 0.78 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL30258399 | 0.77 | HRH1 (0.31) | — | |
| SCHEMBL20865421 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL4950916 | 0.75 | — | — | |
| SCHEMBL26371 | 0.75 | — | — |
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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114665027-A | Perovskite solar cell passivation method based on 4-ethynylpiperidine hydrochloride | 中山大学 | 2022-06-24 | — | — | CN | claimed |
| EP-3294803-B1 | GUANIDINE GROUP CONTAINING CATALYST | SIKA TECH AG (CH) | 2020-12-09 | — | — | EP | claimed |
| CN-110627827-A | Synthesis method of 4-ethynyl-tetrahydropyrane or 4-ethynyl piperidine | 杭州澳赛诺生物科技有限公司 | 2019-12-31 | — | — | CN | claimed |
| EP-2867232-B1 | 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2018-08-08 | — | — | EP | claimed |
| EP-2556066-B1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-10-19 | — | — | EP | claimed |
| EP-2493863-B1 | PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2015-02-25 | — | — | EP | claimed |
| EP-2152664-B1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-09-03 | — | — | EP | claimed |
| EP-2197858-B1 | 1,3,5-TRIAZINE-2,4,6-TRIAMINE COMPOUND OR PHARMACEUTICAL ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HANALL BIOPHARMA CO LTD (KR) | 2014-07-02 | — | — | EP | claimed |
| EP-2234992-B1 | PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2012-02-22 | — | — | EP | claimed |
| EP-2265601-B1 | PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-02-01 | — | — | EP | claimed |
| EP-1528925-B1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-04-22 | — | — | EP | claimed |
| EP-1633348-B1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | ELAN PHARM INC (US) | 2008-10-08 | — | — | EP | claimed |
| EP-1664023-B1 | SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2008-08-13 | — | — | EP | claimed |
| EP-1768978-B1 | 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-07-09 | — | — | EP | claimed |
| EP-1562933-B1 | SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS | AMGEN INC (US) | 2008-03-19 | — | — | EP | claimed |
| EP-1562955-B1 | QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-27 | — | — | EP | claimed |
| EP-1218353-B1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA UK LTD (GB) | 2007-10-17 | — | — | EP | claimed |
| EP-1272185-B1 | USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS | ASTRAZENECA AB (SE) | 2005-07-27 | — | — | EP | claimed |
| CN-1029403-C | 2-oxo-1-oxa-8-azaspiro [4,5] decane derivatives, pharmaceutical compositions containing them and process for preparing same | RICHTER GEDEON VEGYESZET (HU) | 1995-08-02 | — | — | CN | claimed |
| CN-1049348-A | New 2-oxo-1-oxa--8-azaspiro [4,5] decane derivative contains their pharmaceutical composition and preparation method thereof | RICHTER GEDEON VEGYESZET (HU) | 1991-02-20 | — | — | CN | claimed |