⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6237482 | 0.73 | — | — | |
| SCHEMBL17675557 | 0.70 | EIF2AK4 (0.34) | — | |
| SCHEMBL103011 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL110926 | 0.69 | — | — | |
| SCHEMBL8060559 | 0.68 | L3MBTL1 (0.36) | — | |
| SCHEMBL3389545 | 0.67 | NOS1 (0.46) | — | |
| SCHEMBL4034677 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL6210524 | 0.64 | CYP1A2 (0.36) | — | |
| SCHEMBL9833548 | 0.63 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL17064095 | 0.63 | CHRM5 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5330994-A | Antidepressants, anxiolytic agents | WARNER-LAMBERT COMPANY (US) | 1994-07-19 | — | — | US | disclosed |
| WO-1993019062-A1 | TETRAHYDROPYRIDINE ISOXAZOLINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1993-09-30 | — | — | WO | disclosed |