⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL9120455 | 0.92 | — | — | |
| Chloromethane SCHEMBL27614709 | 0.92 | — | — | |
| SCHEMBL22090 | 0.92 | — | — | |
| Acetamide SCHEMBL16738657 | 0.89 | — | — | |
| Ethyl Chloride SCHEMBL29281349 | 0.89 | — | — | |
| Urea SCHEMBL2725491 | 0.88 | — | — | |
| Bromide SCHEMBL11871035 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL29243293 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3108506 | 0.88 | — | — | |
| SCHEMBL28519185 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001053443-A1 | ANTIMICROBIAL CLEANSING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2001-07-26 | — | — | WO | disclosed |