⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11320426 | 0.84 | — | — | |
| Dimethylamine SCHEMBL2247292 | 0.76 | — | — | |
| SCHEMBL28042137 | 0.75 | — | — | |
| SCHEMBL10692451 | 0.75 | — | — | |
| SCHEMBL3310644 | 0.74 | ALOX5 (0.49) | — | |
| SCHEMBL8751417 | 0.74 | ALOX5 (0.49) | — | |
| SCHEMBL2051798 | 0.74 | — | — | |
| SCHEMBL27682498 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1189958 | 0.72 | — | — | |
| SCHEMBL27682466 | 0.72 | — | — |
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-20220000740-A1 | Personal Care Compositions | COLGATE-PALMOLIVE COMPANY (US) | 2022-01-06 | — | — | US | claimed |
| US-11147757-B2 | Personal care compositions | COLGATE-PALMOLIVE COMPANY (US) | 2021-10-19 | — | — | US | claimed |