⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150418 | 0.75 | — | — | |
| SCHEMBL24599911 | 0.74 | — | — | |
| SCHEMBL20374371 | 0.74 | — | — | |
| SCHEMBL13057872 | 0.73 | — | — | |
| SCHEMBL13368433 | 0.71 | CHRNB2 (0.31) | — | |
| SCHEMBL13469213 | 0.71 | CHRNB2 (0.38) | — | |
| SCHEMBL1276479 | 0.69 | — | — | |
| SCHEMBL11573775 | 0.67 | SIGMAR1 (0.39) | — | |
| SCHEMBL13830372 | 0.67 | BRD4 (0.46) | — | |
| SCHEMBL717518 | 0.67 | BRD4 (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078413-A1 | FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 微境生物医药科技(上海)有限公司 | 2023-05-11 | — | — | WO | disclosed |
| EP-3169662-B1 | SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2018-07-11 | — | — | EP | disclosed |
| EP-2510786-A1 | Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives | Bayer CropScience AG (DE) | 2012-10-17 | — | — | EP | disclosed |
| US-7566725-B2 | Imidazo[1,2-A] pyridine anxiolytics | SEPRACOR INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20070135428-A1 | LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-14 | — | — | US | disclosed |