⚠ 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 | |
|---|---|---|---|---|
| Hexamethylbenzene SCHEMBL38513 | 0.96 | — | — | |
| Hexamethylbenzene SCHEMBL28055272 | 0.96 | — | — | |
| Hexamethylbenzene SCHEMBL27808586 | 0.96 | — | — | |
| Hexamethylbenzene SCHEMBL6945522 | 0.96 | — | — | |
| Hexamethylbenzene SCHEMBL443295 | 0.92 | — | — | |
| Hexamethylbenzene SCHEMBL7511606 | 0.85 | — | — | |
| Hexamethylbenzene SCHEMBL9989486 | 0.77 | — | — | |
| SCHEMBL6359566 | 0.76 | — | — | |
| SCHEMBL1317445 | 0.76 | — | — | |
| SCHEMBL28483986 | 0.74 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022080491-A1 | POLYCARBONATE POLYOL AND METHOD FOR PRODUCING SAME, COMPOSITION AND METHOD FOR PRODUCING SAME, URETHANE RESIN AND AQUEOUS URETHANE RESIN DISPERSION | 東ソー株式会社 | 2022-04-21 | — | — | WO | disclosed |