⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329670 | 0.78 | — | — | |
| SCHEMBL22206788 | 0.70 | — | — | |
| SCHEMBL11897268 | 0.69 | MAOB (0.32) | — | |
| SCHEMBL1995695 | 0.67 | HRH3 (0.41) | — | |
| SCHEMBL4827221 | 0.66 | HRH3 (0.45) | — | |
| SCHEMBL12002828 | 0.66 | PAOX (0.37) | — | |
| SCHEMBL329442 | 0.64 | — | — | |
| SCHEMBL1229306 | 0.63 | CXCR4 (0.42) | — | |
| SCHEMBL31468641 | 0.63 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL1995367 | 0.61 | CSNK2A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2338919-A1 | MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING THE SAME, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, AND TIRE | Asahi Kasei Chemicals Corporation (JP) | 2011-06-29 | — | — | EP | disclosed |