⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454927 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL7209074 | 0.72 | POLB (0.35) | — | |
| SCHEMBL913291 | 0.70 | POLB (0.34) | — | |
| SCHEMBL43721 | 0.69 | POLB (0.32) | — | |
| SCHEMBL9285475 | 0.69 | POLB (0.32) | — | |
| SCHEMBL3132415 | 0.67 | CA12 (0.34) | — | |
| SCHEMBL7431766 | 0.64 | POLB (0.31) | — | |
| Ethylene Glycol SCHEMBL3801456 | 0.64 | POLB (0.31) | — | |
| SCHEMBL3938392 | 0.64 | RIPK1 (0.34) | — | |
| SCHEMBL15876545 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111225958-B | Conductive antifouling coating composition | 哈佛大学校长及研究员协会 | 2023-06-20 | — | — | CN | disclosed |