⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11325428 | 0.81 | — | — | |
| SCHEMBL14634279 | 0.71 | GABRA1 (0.32) | — | |
| SCHEMBL823295 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4989259 | 0.65 | — | — | |
| SCHEMBL9628034 | 0.64 | — | — | |
| SCHEMBL19922200 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7856022 | 0.58 | TSHR (0.42) | — | |
| SCHEMBL29627789 | 0.57 | ATM (0.63) | — | |
| SCHEMBL6919829 | 0.57 | ATM (0.63) | — | |
| SCHEMBL688661 | 0.56 | PTPN1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962712-B2 | Cosmetic or dermatological composition comprising of a combination of an elastase inhibitor of the N-acylaminoamide family and at least one antifungal agent or at least one antibacterial agent | L'OREAL (FR) | 2005-11-08 | — | — | US | disclosed |
| WO-1992021317-A1 | PYRIDINE 1-OXIDE BASED COMPOSITION FOR COMBATTING HAIR LOSS AND FOR INDUCING AND STIMULATING HAIR GROWTH | L'OREAL (FR) | 1992-12-10 | — | — | WO | disclosed |
| US-4293542-A | PYRIDINE N-OXIDE DERIVATIVE | L'OREAL (FR) | 1981-10-06 | — | — | US | disclosed |