⚠ 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL8465327 | 0.92 | — | — | |
| SCHEMBL8465221 | 0.82 | FFAR1 (0.38) | — | |
| SCHEMBL7683369 | 0.78 | FFAR1 (0.40) | — | |
| SCHEMBL9425041 | 0.77 | — | — | |
| SCHEMBL9424635 | 0.77 | — | — | |
| SCHEMBL7681008 | 0.76 | LMNA (0.36) | — | |
| Water SCHEMBL7688869 | 0.76 | — | — | |
| SCHEMBL7686754 | 0.75 | — | — | |
| SCHEMBL7678663 | 0.75 | — | — | |
| SCHEMBL7678435 | 0.75 | — | — |
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-5614631-A | ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS, NOOTROPIC AGENTS, BACTERICIDES, FUNGICIDES | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-25 | — | — | US | claimed |