⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8623059 | 0.86 | — | — | |
| SCHEMBL8624283 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL8623613 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL8626005 | 0.79 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL8618206 | 0.77 | — | — | |
| SCHEMBL8623155 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL8623173 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL8623069 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL1295672 | 0.69 | BUB1 (0.34) | — | |
| SCHEMBL8626025 | 0.69 | ALDH1A1 (0.39) | — |
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-0608132-B1 | Coating varnish composition and antifouling coating composition | HITACHI CHEMICAL CO LTD (JP) | 1998-05-20 | — | — | EP | disclosed |
| US-5439511-A | Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1995-08-08 | — | — | US | disclosed |