⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3505825 | 0.79 | — | — | |
| SCHEMBL11035961 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL1231250 | 0.76 | — | — | |
| SCHEMBL140950 | 0.75 | TSHR (0.59) | — | |
| SCHEMBL891217 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL31540416 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL4434792 | 0.74 | — | — | |
| SCHEMBL11035978 | 0.73 | ALDH1A1 (0.37) | — | |
| Water SCHEMBL27837138 | 0.73 | TSHR (0.44) | — | |
| SCHEMBL17541243 | 0.73 | TSHR (0.44) | — |
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 3 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 |
| US-5773508-A | BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| EP-0711813-A2 | Coating varnish composition and antifouling coating composition | Hitachi Chemical Co., Ltd. (JP) | 1996-05-15 | — | — | EP | disclosed |