⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11636830 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL652180 | 0.74 | — | — | |
| SCHEMBL13548742 | 0.74 | — | — | |
| SCHEMBL3857710 | 0.74 | — | — | |
| SCHEMBL3855065 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL12666514 | 0.72 | — | — | |
| Formic Acid SCHEMBL28272448 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL2000603 | 0.70 | — | — | |
| SCHEMBL2799189 | 0.70 | NPC1 (0.59) | — | |
| SCHEMBL3560704 | 0.70 | — | — |
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 |