⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8153294 | 0.86 | GABRA1 (0.33) | — | |
| SCHEMBL8146387 | 0.81 | SCN1A (0.36) | — | |
| SCHEMBL8638610 | 0.80 | GABRA1 (0.33) | — | |
| SCHEMBL8140862 | 0.79 | CHRM2 (0.33) | — | |
| SCHEMBL8140898 | 0.76 | — | — | |
| SCHEMBL8643387 | 0.71 | ESR1 (0.35) | — | |
| SCHEMBL8147911 | 0.71 | TRPA1 (0.37) | — | |
| SCHEMBL8641428 | 0.71 | TRPA1 (0.34) | — | |
| SCHEMBL8642271 | 0.68 | GABRA1 (0.34) | — | |
| SCHEMBL8140633 | 0.66 | TRPA1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000013690-A1 | EXOCYCLIC-PHOSPHOETHANOLAMINES | CLARION PHARMACEUTICALS, INC. (US) | 2000-03-16 | — | — | WO | disclosed |
| US-5804569-A | ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT | CLARION PHARMACEUTICALS INC. (US) | 1998-09-08 | — | — | US | disclosed |