⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1744304 | 0.76 | — | — | |
| SCHEMBL22488944 | 0.73 | NOS3 (0.42) | — | |
| SCHEMBL64599 | 0.73 | — | — | |
| SCHEMBL6248174 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5681195 | 0.70 | — | — | |
| SCHEMBL28747612 | 0.70 | — | — | |
| SCHEMBL27937485 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL10709860 | 0.70 | NOS2 (0.60) | — | |
| Hydrochloric Acid SCHEMBL8446392 | 0.70 | NOS2 (0.60) | — | |
| SCHEMBL3743328 | 0.70 | — | — |
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-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 |
| US-4293542-A | PYRIDINE N-OXIDE DERIVATIVE | L'OREAL (FR) | 1981-10-06 | — | — | US | disclosed |