⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19356150 | 0.66 | TAAR1 (0.31) | — | |
| SCHEMBL24860981 | 0.66 | OPRM1 (0.30) | — | |
| SCHEMBL11279124 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL1256099 | 0.61 | CHEK2 (0.39) | — | |
| SCHEMBL10758693 | 0.61 | OPRM1 (0.47) | — | |
| SCHEMBL27825774 | 0.60 | CHEK2 (0.38) | — | |
| SCHEMBL2008463 | 0.59 | SIGMAR1 (0.30) | — | |
| SCHEMBL16787991 | 0.57 | GAA (0.37) | — | |
| SCHEMBL17274018 | 0.57 | BCHE (0.36) | — | |
| SCHEMBL9805012 | 0.56 | OPRM1 (0.44) | — |
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-4116311-A1 | DITHIENOPHOSPHORINE COMPOUND, AND COLORLESS NEAR-INFRARED ABSORBING MATERIAL AND ELECTROCHROMIC MATERIAL EACH USING SAME | Kyoto University (JP) | 2023-01-11 | — | — | EP | disclosed |