⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10104066 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL16070420 | 0.84 | — | — | |
| SCHEMBL16070393 | 0.80 | — | — | |
| SCHEMBL17733985 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL12215958 | 0.78 | ESR1 (0.38) | — | |
| SCHEMBL16104200 | 0.77 | CHRM2 (0.39) | — | |
| SCHEMBL10104083 | 0.77 | CHRM2 (0.38) | — | |
| SCHEMBL10104081 | 0.75 | CHRM2 (0.39) | — | |
| SCHEMBL15624261 | 0.74 | — | — | |
| SCHEMBL12215955 | 0.73 | PTGS1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004759-B1 | METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE | ORÉAL L (FR) | 2016-05-11 | — | — | EP | disclosed |
| EP-2781556-A1 | Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye | L'Oréal (FR) | 2014-09-24 | — | — | EP | disclosed |