⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20877837 | 1.00 | — | — | |
| SCHEMBL239571 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL18262308 | 0.97 | — | — | |
| SCHEMBL12048672 | 0.86 | PPARA (0.44) | — | |
| SCHEMBL30117374 | 0.83 | TAS1R3 (0.39) | — | |
| SCHEMBL7166023 | 0.81 | CHRNB2 (0.52) | — | |
| SCHEMBL10641417 | 0.81 | CHRNB2 (0.52) | — | |
| SCHEMBL15710655 | 0.80 | — | — | |
| SCHEMBL22294215 | 0.80 | — | — | |
| SCHEMBL28206614 | 0.80 | — | — |
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-110088156-A | Copolymer of 1,3, 7-octatriene and isoprene, hydrogenated product thereof, and method for producing the copolymer | 株式会社可乐丽 | 2019-08-02 | — | — | CN | disclosed |