⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6625318 | 0.81 | KCNN4 (0.33) | — | |
| SCHEMBL18095163 | 0.78 | CYP4F2 (0.42) | — | |
| SCHEMBL15816807 | 0.75 | — | — | |
| SCHEMBL28157759 | 0.74 | DGAT1 (0.37) | — | |
| SCHEMBL755683 | 0.74 | DGAT1 (0.37) | — | |
| SCHEMBL1902123 | 0.74 | — | — | |
| SCHEMBL10976969 | 0.73 | — | — | |
| SCHEMBL809243 | 0.73 | DGAT1 (0.40) | — | |
| SCHEMBL28869957 | 0.72 | — | — | |
| SCHEMBL3827004 | 0.72 | — | — |
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-1993001791-A1 | AZEOTROPIC BLEND OF PROPYL 2-HYDROXY THIOGLYCOLATE AND ETHYL 1-METHYL 2-HYDROXY THIOGLYCOLATE, PROCESS FOR ITS PREPARATION AND USE THEREOF IN A PROCESS FOR ACHIEVING A PERMANENT CHANGE IN HAIR WAVINESS | L'OREAL (FR) | 1993-02-04 | — | — | WO | disclosed |