⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17359978 | 0.67 | SUCNR1 (0.33) | — | |
| SCHEMBL9784243 | 0.60 | — | — | |
| SCHEMBL2371310 | 0.60 | — | — | |
| Ethylene SCHEMBL31544695 | 0.58 | — | — | |
| SCHEMBL2915103 | 0.55 | POLB (0.42) | — | |
| SCHEMBL20511493 | 0.55 | POLB (0.42) | — | |
| Bicarbonate SCHEMBL139212 | 0.53 | — | — | |
| SCHEMBL23829520 | 0.52 | — | — | |
| SCHEMBL9782987 | 0.52 | POLB (0.47) | — | |
| SCHEMBL9271352 | 0.52 | POLB (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1570835-B1 | Composition for the permanent deformation of the hair comprising at least one carboxydithiol | OREAL (FR) | 2010-10-20 | — | — | EP | claimed |