⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18397036 | 0.82 | — | — | |
| SCHEMBL321341 | 0.80 | — | — | |
| SCHEMBL1248191 | 0.67 | — | — | |
| SCHEMBL9989894 | 0.67 | — | — | |
| SCHEMBL6988994 | 0.67 | — | — | |
| SCHEMBL6027845 | 0.67 | — | — | |
| SCHEMBL3884355 | 0.67 | — | — | |
| SCHEMBL11316703 | 0.67 | — | — | |
| SCHEMBL27940574 | 0.66 | — | — | |
| SCHEMBL4876092 | 0.62 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023191469-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING PHENYL GROUP AND USES THEREOF | 주식회사 비엔에이치리서치 | 2023-10-05 | — | — | WO | disclosed |
| WO-2018107056-A1 | 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| EP-2440521-B1 | NOVEL CYCLOPENTANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-04-30 | — | — | EP | disclosed |
| EP-2440521-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | disclosed |
| US-7893099-B2 | Cyclopentane derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-02-22 | — | — | US | disclosed |
| WO-2010142650-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |
| US-20100317647-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | US | disclosed |
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |
| US-20100125081-A1 | NEW COMPOUNDS 574 | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | US | disclosed |