⚠ 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 SCHEMBL5549240 | 0.98 | CYP1A2 (0.67) | — | |
| Hydrochloric Acid SCHEMBL3555281 | 0.98 | CYP1A2 (0.67) | — | |
| SCHEMBL5361875 | 0.82 | CYP1A2 (0.75) | — | |
| SCHEMBL2861457 | 0.82 | CYP1A2 (1.00) | — | |
| Hydrochloric Acid SCHEMBL8725767 | 0.82 | CYP1A2 (0.62) | — | |
| Hydrochloric Acid SCHEMBL6121350 | 0.80 | CYP1A2 (0.95) | — | |
| SCHEMBL10054984 | 0.78 | CYP1A2 (0.91) | — | |
| SCHEMBL14825004 | 0.78 | — | — | |
| SCHEMBL19031318 | 0.78 | CYP1A2 (0.83) | — | |
| SCHEMBL1629085 | 0.78 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3907221-A1 | FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-11-10 | — | — | EP | disclosed |
| WO-2020140894-A1 | FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2020-07-09 | — | — | WO | disclosed |
| EP-2057166-B1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-AMINO DERIVATIVES | MERCK SHARP & DOHME (US) | 2018-07-11 | — | — | EP | disclosed |
| US-8076479-B2 | useful as cyclin-dependent kinase inhibitor compounds; minimizes the need for chromatographic purification of intermediates, and utilizes fewer changes of solvent systems | SCHERING CORPORATION (US) | 2011-12-13 | — | — | US | disclosed |
| WO-2011121068-A1 | AMINO DERIVATIVES OF CYCLOHEX-2-ENONE, THEIR PREPARATION AND USE AS ANTIOXIDANTS | ABIOGEN PHARMA S.P.A. (IT) | 2011-10-06 | — | — | WO | disclosed |
| EP-2371816-A1 | Aminocyclohexenone, their preparation and use as medicament against oxidative stress | ABIOGEN PHARMA S.p.A. (IT) | 2011-10-05 | — | — | EP | disclosed |
| EP-1888579-B1 | NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF | AVENTIS PHARMA SA (FR) | 2011-08-03 | — | — | EP | disclosed |
| EP-2057166-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDRO- PYRAZOLOÝ1,5-A¨PYRIMIDIN-7-YL)-AMINO DERIVATIVES AND INTERMEDIATES | SCHERING CORPORATION (US) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008027220-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3, 3A-DIHYDROPYRAZOL0 [1, 5-A] PYRIMIDIN-7-YL) -AMINO DERIVATIVES | SCHERING CORPORATION (US) | 2008-03-06 | — | — | WO | disclosed |
| US-20080058518-A1 | Process and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3,3a-dihydro-pyrazolo[1,5-a]pyrimidin-7-yl)-amino derivatives and intermediates | MERCK SHARP & DOHME LLC | 2008-03-06 | — | — | US | disclosed |
| EP-1888579-A2 | NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF | Aventis Pharma S.A. (FR) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006123061-A2 | FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF | AVENTIS PHARMA S.A. (FR) | 2006-11-23 | — | — | WO | disclosed |