⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8190617 | 0.89 | — | — | |
| SCHEMBL200623 | 0.82 | — | — | |
| SCHEMBL1937162 | 0.82 | — | — | |
| SCHEMBL14822452 | 0.81 | — | — | |
| Diethyl Sulfide SCHEMBL1400630 | 0.79 | TDP1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL7246226 | 0.79 | — | — | |
| SCHEMBL9077594 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL9229050 | 0.78 | — | — | |
| SCHEMBL14780539 | 0.76 | TDP1 (0.35) | — | |
| SCHEMBL18348903 | 0.76 | — | — |
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-8168212-B2 | Topical compositions comprising non-proteogenic amino acids and methods of treating skin | AVON PRODUCTS, INC (US) | 2012-05-01 | — | — | US | disclosed |
| US-20100261769-A1 | Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin | AVON PRODUCTS, INC. (US) | 2010-10-14 | — | — | US | disclosed |