⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12130525 | 0.94 | — | — | |
| SCHEMBL10301167 | 0.93 | — | — | |
| SCHEMBL402381 | 0.93 | — | — | |
| SCHEMBL10301174 | 0.93 | — | — | |
| SCHEMBL10301170 | 0.93 | — | — | |
| SCHEMBL18233782 | 0.93 | — | — | |
| SCHEMBL1104613 | 0.91 | — | — | |
| SCHEMBL10301162 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL10301169 | 0.91 | MEN1 (0.40) | — | |
| SCHEMBL14867188 | 0.91 | MEN1 (0.40) | — |
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-8147812-B2 | shampoo; gel is not broken; Polyethersiloxane block polymer from hydrosilylation reaction between diallyl ether of polyoxyethylene glycol and dimethylsiloxane-methylhydrogensiloxane copolymer | THE PROCTER & GAMBLE COMPANY (US) | 2012-04-03 | — | — | US | disclosed |