⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8412393 | 0.88 | HDAC3 (0.52) | — | |
| SCHEMBL19426270 | 0.88 | NAAA (0.50) | — | |
| SCHEMBL16298867 | 0.86 | NAAA (0.48) | — | |
| SCHEMBL9649999 | 0.86 | CNR1 (0.47) | — | |
| SCHEMBL928881 | 0.84 | — | — | |
| SCHEMBL8530513 | 0.84 | HDAC3 (0.54) | — | |
| SCHEMBL8413255 | 0.84 | HDAC3 (0.54) | — | |
| SCHEMBL2186533 | 0.84 | GAA (0.53) | — | |
| SCHEMBL18415503 | 0.82 | SELP (0.51) | — | |
| SCHEMBL9193023 | 0.82 | HDAC3 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017046172-A1 | CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS | UNIVERSITÄT BASEL (CH) | 2017-03-23 | — | — | WO | disclosed |
| WO-2017018498-A1 | COMPOSITION, PROCESS, METHOD AND USE FOR KERATIN FIBERS | L'OREAL (FR) | 2017-02-02 | — | — | WO | disclosed |
| EP-0734716-B1 | Composition for permanent waving of human hair | KAO CORP (JP) | 1999-08-25 | — | — | EP | disclosed |
| EP-0734715-B1 | 1,3-Butanediol thioglycolate isomer mixture and permanent waving composition comprising same | KAO CORP (JP) | 1999-01-20 | — | — | EP | disclosed |
| US-5720944-A | POLYGLYCOL MONOTHIO(GLYCOLATE OR LACTATE) AS REDUCING AGENTS | KAO CORPORATION (JP) | 1998-02-24 | — | — | US | disclosed |
| US-5720945-A | 1,3-butanediol thioglycollate isomer mixture and permanent waving composition comprising same | KAO CORPORATION (JP) | 1998-02-24 | — | — | US | disclosed |
| EP-0734715-A2 | 1,3-Butanediol thioglycolate isomer mixture and permanent waving composition comprising same | Kao Corporation (JP) | 1996-10-02 | — | — | EP | disclosed |
| EP-0734716-A2 | Composition for permanent waving of human hair | Kao Corporation (JP) | 1996-10-02 | — | — | EP | disclosed |
| EP-0368763-B1 | 4-MERCAPTO BUTYRAMIDES N-MONO OR N,N-DISUBSTITUTED BY A MONO OR POLYHYDROXYALKYL RADICAL, AND THEIR USE AS REDUCING AGENTS IN THE PROCESS OF PERMANENT DEFORMATION OF THE HAIR | L'OREAL (FR) | 1992-10-14 | — | — | EP | disclosed |
| EP-0368763-A1 | 4-Mercapto butyramides N-mono or N,N-disubstituted by a mono or polyhydroxyalkyl radical, and their use as reducing agents in the process of permanent deformation of the hair | L'OREAL (FR) | 1990-05-16 | — | — | EP | disclosed |
| EP-0070088-A1 | Process for preparing an aminoethylthiomethylimidazole | BRIDGE CHEMICALS LIMITED (GB) | 1983-01-19 | — | — | EP | disclosed |