⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3731421 | 1.00 | — | — | |
| SCHEMBL27340 | 0.96 | — | — | |
| SCHEMBL3724755 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL2306141 | 0.92 | — | — | |
| SCHEMBL11581018 | 0.92 | — | — | |
| SCHEMBL3725238 | 0.92 | — | — | |
| SCHEMBL28390642 | 0.92 | — | — | |
| SCHEMBL2306976 | 0.92 | — | — | |
| SCHEMBL3724481 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL30792418 | 0.92 | TP53 (0.44) | — |
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-7981403-B2 | sulfur reducing agent with an oxidizing agent; thioglycolic acid, thiolactic acid, sodium bisulfite, calcium bisulfite, hydrogen peroxide | L'OREAL (FR) | 2011-07-19 | — | — | US | disclosed |