⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24091342 | 1.00 | — | — | |
| SCHEMBL11105090 | 0.85 | ALDH1A1 (0.56) | — | |
| SCHEMBL11105098 | 0.85 | ALDH1A1 (0.56) | — | |
| Alcohol SCHEMBL5391049 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL22133139 | 0.79 | IAPP (0.43) | — | |
| SCHEMBL2542739 | 0.79 | IAPP (0.43) | — | |
| SCHEMBL5023403 | 0.75 | TRPA1 (0.50) | — | |
| SCHEMBL5023396 | 0.75 | TRPA1 (0.50) | — | |
| SCHEMBL156118 | 0.74 | — | — | |
| SCHEMBL156117 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200155707-A1 | CONJUGATE AND BLOCK COPOLYMER CONTAINING FLUORESCENT CHROMOPHORE AND PREPARATION METHOD THEREFOR AND USE THEREOF | UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) | 2020-05-21 | — | — | US | disclosed |
| US-20180142023-A1 | COMPOSITIONS MONOVALENT FOR CD28 BINDING AND METHODS OF USE | DOMANTIS LIMITED (GB) | 2018-05-24 | — | — | US | disclosed |