⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5287322 | 0.92 | — | — | |
| SCHEMBL4895084 | 0.81 | — | — | |
| SCHEMBL20658181 | 0.75 | THRB (0.40) | — | |
| SCHEMBL1033227 | 0.73 | MEN1 (0.52) | — | |
| SCHEMBL11264390 | 0.73 | DNM1 (0.38) | — | |
| SCHEMBL2359433 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL8975722 | 0.71 | CYP1A2 (0.31) | — | |
| 1,4-Butanediol SCHEMBL27740844 | 0.71 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL21081840 | 0.69 | — | — | |
| SCHEMBL383024 | 0.69 | — | — |
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-1644447-B1 | DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS | DYSTAR COLOURS DEUTSCHLAND (DE) | 2011-08-10 | — | — | EP | claimed |