⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7770933 | 1.00 | — | — | |
| SCHEMBL775803 | 0.75 | — | — | |
| SCHEMBL7771349 | 0.75 | — | — | |
| SCHEMBL233054 | 0.75 | — | — | |
| SCHEMBL20122754 | 0.75 | — | — | |
| SCHEMBL7771253 | 0.75 | — | — | |
| SCHEMBL29030080 | 0.73 | — | — | |
| SCHEMBL28629969 | 0.73 | — | — | |
| SCHEMBL3201203 | 0.70 | ITGB3 (0.39) | — | |
| SCHEMBL181913 | 0.70 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711813-B1 | Antifouling coating composition | HITACHI CHEMICAL CO LTD (JP) | 2001-07-25 | — | — | EP | disclosed |
| EP-0711813-A2 | Coating varnish composition and antifouling coating composition | Hitachi Chemical Co., Ltd. (JP) | 1996-05-15 | — | — | EP | disclosed |