⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19256443 | 0.74 | — | — | |
| SCHEMBL18931643 | 0.65 | — | — | |
| SCHEMBL21140891 | 0.63 | RAB9A (0.33) | — | |
| SCHEMBL14777515 | 0.63 | CCNB2 (0.32) | — | |
| SCHEMBL22925867 | 0.62 | GAA (0.30) | — | |
| SCHEMBL17687860 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL22239619 | 0.61 | — | — | |
| SCHEMBL21583443 | 0.60 | TDP1 (0.34) | — | |
| SCHEMBL15783790 | 0.59 | KDM4E (0.41) | — | |
| SCHEMBL23817037 | 0.59 | — | — |
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-2578590-B1 | ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | KOREA INST SCI & TECH (KR) | 2017-08-16 | — | — | EP | disclosed |