⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11426040 | 0.86 | NR5A1 (0.39) | — | |
| SCHEMBL7976871 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27687745 | 0.80 | — | — | |
| SCHEMBL28222860 | 0.72 | L3MBTL1 (0.41) | — | |
| SCHEMBL1145851 | 0.72 | — | — | |
| SCHEMBL4914943 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8693728 | 0.67 | HIF1A (0.36) | — | |
| SCHEMBL4269009 | 0.67 | NPC1 (0.45) | — | |
| SCHEMBL319792 | 0.67 | MAPT (0.41) | — | |
| SCHEMBL4273317 | 0.67 | CCNA2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6248765-B1 | ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) | 2001-06-19 | — | — | US | claimed |