⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4884865 | 0.98 | — | — | |
| SCHEMBL4891334 | 0.81 | TDP1 (0.32) | — | |
| SCHEMBL1804157 | 0.81 | — | — | |
| SCHEMBL6989638 | 0.81 | TDP1 (0.36) | — | |
| SCHEMBL911000 | 0.81 | — | — | |
| SCHEMBL7919640 | 0.81 | TDP1 (0.37) | — | |
| SCHEMBL898861 | 0.80 | TDP1 (0.34) | — | |
| SCHEMBL4456924 | 0.80 | — | — | |
| SCHEMBL8472131 | 0.79 | — | — | |
| SCHEMBL8854172 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781245-B1 | METHOD FOR PERMANENT HAIR PROCESSING | SHOWA DENKO KK (JP) | 2012-11-14 | — | — | EP | disclosed |
| US-20080031839-A1 | Agent For Prermanent Hair Processing | SHOWA DENKO K.K. (JP) | 2008-02-07 | — | — | US | disclosed |
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |