⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29497283 | 0.78 | — | — | |
| Benzene SCHEMBL28718556 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL4807780 | 0.77 | — | — | |
| SCHEMBL22897 | 0.77 | — | — | |
| SCHEMBL605192 | 0.77 | — | — | |
| SCHEMBL1734384 | 0.77 | — | — | |
| SCHEMBL3569653 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL28706378 | 0.74 | — | — | |
| SCHEMBL3860250 | 0.74 | — | — | |
| SCHEMBL29396747 | 0.74 | FFAR3 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404677-B2 | Kinase inhibitors | GENOSCO (US) | 2013-03-26 | — | — | US | disclosed |
| EP-2493313-A1 | KINASE INHIBITORS | Genosco (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20110269739-A1 | KINASE INHIBITORS | OSCOTEC, INC. (KR) | 2011-11-03 | — | — | US | disclosed |
| WO-2011053861-A1 | KINASE INHIBITORS | GENOSCO (US) | 2011-05-05 | — | — | WO | disclosed |