⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25515908 | 0.82 | — | — | |
| SCHEMBL27823842 | 0.80 | — | — | |
| SCHEMBL28211960 | 0.73 | — | — | |
| SCHEMBL28010212 | 0.70 | — | — | |
| Ethane SCHEMBL28413346 | 0.58 | — | — | |
| SCHEMBL1226137 | 0.58 | — | — | |
| SCHEMBL400344 | 0.58 | — | — | |
| SCHEMBL1226953 | 0.58 | — | — | |
| SCHEMBL400244 | 0.58 | — | — | |
| SCHEMBL12272287 | 0.58 | — | — |
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-104379613-B | Polymerization catalyst composition, process for producing synthetic polyisoprene, and synthetic polyisoprene | 株式会社普利司通 | 2018-12-04 | — | — | CN | disclosed |