⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21038639 | 0.96 | CHKA (0.32) | — | |
| SCHEMBL16203356 | 0.88 | CXCR4 (0.33) | — | |
| SCHEMBL18599846 | 0.85 | HTR6 (0.31) | — | |
| SCHEMBL13809031 | 0.79 | CHRNB2 (0.31) | — | |
| SCHEMBL23135773 | 0.79 | NCF1 (0.33) | — | |
| SCHEMBL16203354 | 0.77 | — | — | |
| SCHEMBL10054574 | 0.76 | HTR6 (0.35) | — | |
| SCHEMBL22699178 | 0.75 | — | — | |
| SCHEMBL18495100 | 0.75 | — | — | |
| SCHEMBL23938050 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3248980-B1 | JAK INHIBITOR | WUXI FORTUNE PHARMACEUTICAL CO LTD (CN) | 2023-09-06 | — | — | EP | disclosed |
| EP-3512849-B1 | 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE | BAYER AG (DE) | 2021-06-23 | — | — | EP | disclosed |
| WO-2021115413-A1 | NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR | 江苏恒瑞医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021053161-A1 | PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2021-03-25 | — | — | WO | disclosed |
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |
| WO-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |
| EP-2814834-B1 | C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 5) LTD (GB) | 2017-09-13 | — | — | EP | disclosed |
| US-20160229837-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-08-11 | — | — | US | disclosed |