⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112763 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL11657362 | 1.00 | KMT2A (0.52) | — | |
| Cyclohexane SCHEMBL8879285 | 1.00 | KMT2A (0.52) | — | |
| Cyclopentane SCHEMBL8879018 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL4989703 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL28983235 | 1.00 | KMT2A (0.52) | — | |
| Methane SCHEMBL27674323 | 0.97 | KMT2A (0.50) | — | |
| SCHEMBL822956 | 0.97 | — | — | |
| Methane SCHEMBL8878704 | 0.95 | — | — | |
| Biphenyl SCHEMBL3157315 | 0.93 | KMT2A (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |
| US-20080131389-A1 | Hair Relaxer | SHOWA DENKO K.K. (JP) | 2008-06-05 | — | — | US | disclosed |
| EP-1845940-A1 | HAIR RELAXER | Showa Denko K.K. (JP) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006083031-A1 | HAIR RELAXER | SHOWA DENKO K.K. (JP) | 2006-08-10 | — | — | WO | disclosed |