⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5652777 | 0.49 | — | — | |
| SCHEMBL735951 | 0.36 | — | — | |
| Hydrochloric Acid SCHEMBL72335 | 0.31 | — | — | |
| Water SCHEMBL1960738 | 0.25 | — | — | |
| SCHEMBL2368303 | 0.25 | — | — | |
| Hydrochloric Acid SCHEMBL10625472 | 0.25 | — | — | |
| SCHEMBL31203085 | 0.25 | — | — | |
| Water SCHEMBL21986451 | 0.25 | — | — | |
| SCHEMBL57645 | 0.25 | — | — | |
| SCHEMBL4535013 | 0.25 | — | — |
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-6231623-B1 | OXIDATIVE DYES | L'OREAL S.A. (FR) | 2001-05-15 | — | — | US | disclosed |