⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104863 | 0.86 | LMNA (0.32) | — | |
| SCHEMBL21051178 | 0.84 | — | — | |
| SCHEMBL16497465 | 0.84 | — | — | |
| SCHEMBL28102767 | 0.84 | LMNA (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL29153382 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL23898210 | 0.82 | — | — | |
| SCHEMBL6357206 | 0.82 | — | — | |
| Ethylamine SCHEMBL3358814 | 0.79 | — | — | |
| Isopropylamine SCHEMBL28749037 | 0.79 | — | — | |
| Alcohol SCHEMBL28068444 | 0.79 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| US-6384117-B1 | COMPOUND HAVING REDUCED VISCOSITY PRIOR TO VULCANIZATION COMPRISING ELASTOMER, REINFORCING FILLER CONSISTING OF SILICA OR ITS MIXTURES WITH CARBON BLACK, ALKYLALKOXYSILANE, SORBITAN FATTY ACID ESTER PROCESSING AID, SULFUR CURING AGENT | BRIDGESTONE CORPORATION (JP) | 2002-05-07 | — | — | US | disclosed |