⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13652834 | 0.84 | MDH1 (0.30) | — | |
| SCHEMBL13400022 | 0.84 | MDH1 (0.38) | — | |
| SCHEMBL13159273 | 0.83 | TDP1 (0.32) | — | |
| SCHEMBL813115 | 0.83 | TDP1 (0.32) | — | |
| SCHEMBL2612597 | 0.78 | SHBG (0.36) | — | |
| SCHEMBL13159282 | 0.78 | CA2 (0.33) | — | |
| SCHEMBL812925 | 0.78 | CA2 (0.33) | — | |
| SCHEMBL812911 | 0.77 | TYR (0.37) | — | |
| SCHEMBL13159275 | 0.77 | TYR (0.37) | — | |
| SCHEMBL13159278 | 0.77 | POLB (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090246416-A1 | OPTICAL FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE | KONICA MINOLTA OPTO, INC. (JP) | 2009-10-01 | — | — | US | disclosed |