⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38460 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL31390041 | 0.92 | — | — | |
| SCHEMBL27893848 | 0.92 | — | — | |
| Hydrogen Sulfide SCHEMBL27812782 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28726296 | 0.88 | — | — | |
| Lactic Acid SCHEMBL9493551 | 0.82 | TP53 (0.61) | — | |
| Succinic Acid SCHEMBL19181068 | 0.79 | EGLN1 (0.56) | — | |
| SCHEMBL29373 | 0.78 | — | — | |
| SCHEMBL1618313 | 0.78 | ALDH1A1 (1.00) | — | |
| SCHEMBL10519353 | 0.77 | CYP2C9 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040136941-A1 | Cosmetic and dermatological preparation for removing sebum or regulating sebum production | BEIERSDORF AG | 2004-07-15 | — | — | US | claimed |