⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17951489 | 0.72 | PTPRC (0.35) | — | |
| SCHEMBL17951779 | 0.68 | PTPRC (0.40) | — | |
| SCHEMBL24860882 | 0.66 | — | — | |
| SCHEMBL19356150 | 0.63 | TAAR1 (0.31) | — | |
| SCHEMBL24860981 | 0.62 | OPRM1 (0.30) | — | |
| SCHEMBL22224669 | 0.59 | HPGD (0.32) | — | |
| SCHEMBL12433902 | 0.59 | MEN1 (0.33) | — | |
| SCHEMBL19276652 | 0.59 | ALOX5 (0.38) | — | |
| SCHEMBL20474619 | 0.59 | ALOX5 (0.38) | — | |
| SCHEMBL1256099 | 0.58 | CHEK2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017155042-A1 | DITHIENOPHOSPHORINE COMPOUND AND FLUORESCENT DYE PRODUCED USING SAME | 国立大学法人名古屋大学 | 2017-09-14 | — | — | WO | disclosed |