⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6632097 | 0.79 | NAALAD2 (0.46) | — | |
| SCHEMBL19815050 | 0.75 | TP53 (0.50) | — | |
| Bicarbonate SCHEMBL15411238 | 0.74 | TP53 (0.47) | — | |
| SCHEMBL701328 | 0.72 | — | — | |
| SCHEMBL165532 | 0.72 | — | — | |
| SCHEMBL28172667 | 0.72 | — | — | |
| SCHEMBL9418997 | 0.72 | SLC1A3 (0.50) | — | |
| Acetic Acid SCHEMBL27243 | 0.71 | FFAR3 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL8998227 | 0.70 | SLC1A3 (0.48) | — | |
| SCHEMBL126993 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1764082-B1 | 4-5-diamino-N,N-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres | OREAL (FR) | 2011-06-29 | — | — | EP | claimed |
| CN-103228254-B | Liquid cleansing compositions containing long chain fatty acids | COLGATE-PALMOLIVE CO. (US) | 2015-08-12 | — | — | CN | disclosed |
| CN-104812449-A | Cleansing composition | COLGATE PALMOLIVE CO | 2015-07-29 | — | — | CN | disclosed |
| CN-103228251-B | Liquid cleaning compositions containing long-chain fatty alcohols | COLGATE PALMOLIVE CO | 2015-05-06 | — | — | CN | disclosed |
| CN-103228254-A | Liquid cleansing compositions containing long chain fatty acids | COLGATE PALMOLIVE CO | 2013-07-31 | — | — | CN | disclosed |
| CN-103228251-A | Liquid cleaning compositions containing long-hain fatty alcohols | COLGATE PALMOLIVE CO | 2013-07-31 | — | — | CN | disclosed |