⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL4430573 | 0.85 | HSD17B10 (0.34) | — | |
| Ethylene SCHEMBL16949676 | 0.83 | — | — | |
| SCHEMBL22129636 | 0.83 | — | — | |
| SCHEMBL81839 | 0.83 | — | — | |
| SCHEMBL36991 | 0.83 | — | — | |
| Propene SCHEMBL28389911 | 0.82 | HSD17B10 (0.33) | — | |
| Vinyl Ether SCHEMBL5044003 | 0.80 | — | — | |
| Ethylene SCHEMBL25304784 | 0.80 | — | — | |
| SCHEMBL28225166 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL9015473 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111051360-B | Polymerization catalyst composition, method for producing polymer, rubber composition, and tire | 株式会社普利司通 | 2022-10-28 | — | — | CN | disclosed |
| CN-111051360-A | Polymerization catalyst composition, method for producing polymer, rubber composition, and tire | 株式会社普利司通 | 2020-04-21 | — | — | CN | disclosed |