⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17892852 | 0.83 | — | — | |
| SCHEMBL27840470 | 0.79 | NOS3 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL28090008 | 0.79 | — | — | |
| SCHEMBL4074799 | 0.77 | — | — | |
| SCHEMBL28053026 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL28005500 | 0.71 | — | — | |
| Methylamine SCHEMBL28005165 | 0.69 | IDO1 (0.34) | — | |
| SCHEMBL27861613 | 0.69 | — | — | |
| SCHEMBL4072769 | 0.68 | IDO1 (0.36) | — | |
| SCHEMBL28237687 | 0.68 | — | — |
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-104334629-B | Rubber composition for tire tread and pneumatic tire | 住友橡胶工业株式会社 | 2016-08-24 | — | — | CN | disclosed |
| CN-104334629-A | Tread rubber composition and pneumatic tire | SUMITOMO RUBBER IND | 2015-02-04 | — | — | CN | disclosed |