⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26842937 | 0.79 | CYP3A4 (0.30) | — | |
| SCHEMBL8963298 | 0.73 | — | — | |
| Water SCHEMBL27530789 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28409967 | 0.71 | — | — | |
| Bromide SCHEMBL28417963 | 0.71 | — | — | |
| SCHEMBL13177765 | 0.71 | — | — | |
| SCHEMBL12955081 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL23348689 | 0.67 | HDAC1 (0.31) | — | |
| SCHEMBL25926099 | 0.67 | CYP3A4 (0.30) | — | |
| SCHEMBL8963314 | 0.65 | CYP3A4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2663600-B1 | DISPERSE DYE MIXTURES, THEIR PREPARATION AND USE | DYSTAR COLOURS DISTRIB GMBH (DE) | 2017-09-20 | — | — | EP | disclosed |