⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4216107 | 0.77 | — | — | |
| SCHEMBL6003467 | 0.77 | — | — | |
| SCHEMBL9614677 | 0.77 | — | — | |
| SCHEMBL11402777 | 0.77 | — | — | |
| SCHEMBL14918974 | 0.77 | L3MBTL1 (0.33) | — | |
| SCHEMBL18040142 | 0.72 | — | — | |
| SCHEMBL14919132 | 0.72 | — | — | |
| SCHEMBL15544079 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL12473187 | 0.72 | — | — | |
| SCHEMBL6061784 | 0.68 | KEAP1 (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642640-B2 | 1-phenylpyrrole derivatives | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-8633173-B2 | Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives | CEPHALON, INC (US) | 2014-01-21 | — | — | US | disclosed |
| US-20110263544-A1 | 1-Phenylpyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| US-20090054413-A1 | Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | US | disclosed |
| US-7465808-B2 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-12-16 | — | — | US | disclosed |
| US-7087626-B2 | Pyrrole derivatives as pharmaceutical agents | ELI LILLY AND COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | disclosed |
| US-20060014817-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-01-19 | — | — | US | disclosed |
| EP-1206474-A1 | SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS | ABBOTT LABORATORIES (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001016138-A1 | SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS | ABBOTT LABORATORIES (US) | 2001-03-08 | — | — | WO | disclosed |