⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2092 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL10400041 | 0.67 | — | — | |
| Fluoride SCHEMBL3369470 | 0.67 | — | — | |
| SCHEMBL13697668 | 0.63 | — | — | |
| SCHEMBL29245 | 0.63 | — | — | |
| SCHEMBL1902190 | 0.62 | — | — | |
| Carbon Dioxide SCHEMBL2359185 | 0.58 | — | — | |
| Ammonia Solution, Strong SCHEMBL9615643 | 0.58 | — | — | |
| SCHEMBL31413506 | 0.58 | — | — | |
| SCHEMBL29077826 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1057995-C | Substituted ortho-ethenylphenylacetic acid derivatives | BSAF AG (DE) | 2000-11-01 | — | — | CN | disclosed |
| US-5260292-A | Topical treatment of acne with aminopenicillins | Towsend, Marvin S. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0536360-A4 | TOPICAL TREATMENT OF ACNE | — | 1993-08-04 | — | — | EP | disclosed |
| EP-0536360-A1 | TOPICAL TREATMENT OF ACNE | BLOOM, Leonard (US) | 1993-04-14 | — | — | EP | disclosed |
| WO-1992015299-A1 | TOPICAL TREATMENT OF ACNE | BLOOM, LEONARD (US) | 1992-09-17 | — | — | WO | disclosed |