⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22312094 | 1.00 | — | — | |
| SCHEMBL827427 | 1.00 | — | — | |
| SCHEMBL23739885 | 0.74 | — | — | |
| SCHEMBL4790355 | 0.71 | — | — | |
| SCHEMBL10066826 | 0.71 | — | — | |
| SCHEMBL4790353 | 0.71 | — | — | |
| SCHEMBL10413780 | 0.69 | — | — | |
| SCHEMBL14682595 | 0.69 | — | — | |
| SCHEMBL23913515 | 0.69 | — | — | |
| SCHEMBL10035110 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117210833-A | Method for preparing 3-benzylamino-2-butenenitrile | 中国石油化工股份有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-104334556-A | Novel sphingosine-1-phosphate receptor antagonists | SWENSON ROLF E | 2015-02-04 | — | — | CN | disclosed |
| US-20070128658-A1 | FLUORESCENT DYES, METHODS AND USES THEREOF | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2007-06-07 | — | — | US | disclosed |
| EP-0016277-A1 | 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation | AMERICAN CYANAMID COMPANY (US) | 1980-10-01 | — | — | EP | disclosed |