⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20590031 | 0.83 | — | — | |
| SCHEMBL21383098 | 0.76 | — | — | |
| SCHEMBL1680643 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL10760016 | 0.73 | CEL (0.33) | — | |
| SCHEMBL12263412 | 0.73 | CHRM2 (0.47) | — | |
| SCHEMBL14395525 | 0.70 | — | — | |
| SCHEMBL13749132 | 0.68 | CHRM2 (0.39) | — | |
| SCHEMBL12029787 | 0.68 | — | — | |
| SCHEMBL1681058 | 0.68 | POLB (0.39) | — | |
| SCHEMBL13535908 | 0.67 | CHRM2 (0.42) | — |
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 |