⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL906336 | 0.89 | — | — | |
| SCHEMBL2020344 | 0.87 | — | — | |
| SCHEMBL2020343 | 0.84 | — | — | |
| SCHEMBL1596137 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL28532109 | 0.77 | — | — | |
| SCHEMBL22661019 | 0.77 | — | — | |
| SCHEMBL20394652 | 0.77 | — | — | |
| SCHEMBL1595849 | 0.75 | ADRB2 (0.38) | — | |
| SCHEMBL906496 | 0.74 | — | — | |
| SCHEMBL21327758 | 0.74 | — | — |
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-20110160388-A1 | PROCESS FOR PRODUCTION OF MODIFIED CONJUGATED DIENE COPOLYMER, MODIFIED CONJUGATED DIENE COPOLYMER PRODUCED BY THE PROCESS, RUBBER COMPOSITION, AND TIRE | BRIDGESTONE CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |