⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24418076 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL21844840 | 0.58 | — | — | |
| SCHEMBL20787999 | 0.58 | SIGMAR1 (0.32) | — | |
| SCHEMBL12087594 | 0.52 | — | — | |
| SCHEMBL9029721 | 0.50 | — | — | |
| SCHEMBL22631532 | 0.49 | SIGMAR1 (0.48) | — | |
| SCHEMBL16312413 | 0.48 | SIGMAR1 (0.62) | — | |
| SCHEMBL22123105 | 0.46 | GNAI3 (0.47) | — | |
| SCHEMBL25030266 | 0.46 | TSHR (0.41) | — | |
| SCHEMBL17888435 | 0.46 | NAMPT (0.31) | — |
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-2918587-B1 | Filamin A binding compounds and their use as anti-inflammatory and analgesic agents | PAIN THERAPEUTICS INC (US) | 2018-04-04 | — | — | EP | disclosed |