⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17528660 | 0.90 | PTGS1 (0.31) | — | |
| SCHEMBL17528661 | 0.88 | — | — | |
| SCHEMBL15458106 | 0.80 | — | — | |
| SCHEMBL17528649 | 0.76 | — | — | |
| SCHEMBL17130536 | 0.72 | — | — | |
| SCHEMBL17528652 | 0.71 | PTGS1 (0.32) | — | |
| SCHEMBL16307286 | 0.71 | HSF1 (0.33) | — | |
| SCHEMBL16307263 | 0.71 | PTGS1 (0.32) | — | |
| SCHEMBL16307265 | 0.71 | PTGS1 (0.32) | — | |
| SCHEMBL14716455 | 0.70 | PTGS1 (0.38) | — |
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-2016021660-A1 | COPOLYMER, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL AND SOLAR CELL MODULE | 三菱化学株式会社 | 2016-02-11 | — | — | WO | disclosed |