⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6929384 | 0.74 | — | — | |
| SCHEMBL296128 | 0.67 | — | — | |
| Alcohol SCHEMBL31144296 | 0.63 | — | — | |
| SCHEMBL486818 | 0.59 | — | — | |
| Alcohol SCHEMBL30585213 | 0.59 | — | — | |
| SCHEMBL352063 | 0.59 | — | — | |
| Alcohol SCHEMBL7260944 | 0.59 | — | — | |
| Alcohol SCHEMBL11311783 | 0.59 | — | — | |
| Alcohol SCHEMBL28735657 | 0.56 | — | — | |
| SCHEMBL2948796 | 0.56 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103702656-B | Shampoo compositions | SHISEIDO CO.,LTD. (JP) | 2015-09-30 | — | — | CN | disclosed |
| CN-103702656-A | Shampoo compositions | SHISEIDO CO LTD | 2014-04-02 | — | — | CN | disclosed |
| US-20140086864-A1 | Shampoo Compostion | SHISEIDO COMPANY, LTD. (JP) | 2014-03-27 | — | — | US | disclosed |
| WO-2008032027-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-03-20 | — | — | WO | disclosed |
| US-4376848-A | Water dilutable cathodic depositable resinous binder production and use | LACKWERKE WULFING GMBH & CO. (DE) | 1983-03-15 | — | — | US | disclosed |