⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7182267 | 1.00 | — | — | |
| SCHEMBL7189424 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL7189426 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL7187732 | 0.78 | ALOX5 (0.35) | — | |
| SCHEMBL7187727 | 0.78 | ALOX5 (0.35) | — | |
| SCHEMBL201673 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL201672 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL7187245 | 0.76 | ALOX5 (0.40) | — | |
| SCHEMBL7187244 | 0.76 | ALOX5 (0.40) | — | |
| SCHEMBL7192740 | 0.75 | ALOX5 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6569936-B1 | Rubber composition for a conveyor belt | MITSUI CHEMICALS, INC. (JP) | 2003-05-27 | — | — | US | disclosed |
| EP-0877053-B1 | Rubber composition for a conveyor belt | MITSUI CHEMICALS INC (JP) | 2001-11-14 | — | — | EP | disclosed |
| EP-0877053-A2 | Rubber composition for a conveyor belt | Mitsui Chemicals, Inc. (JP) | 1998-11-11 | — | — | EP | disclosed |