⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7058113 | 0.90 | AKR1C3 (0.32) | — | |
| SCHEMBL8423577 | 0.86 | CHRM1 (0.36) | — | |
| SCHEMBL4957663 | 0.84 | DPP4 (0.34) | — | |
| SCHEMBL6427138 | 0.83 | CA2 (0.38) | — | |
| SCHEMBL8083662 | 0.82 | — | — | |
| SCHEMBL8083660 | 0.82 | — | — | |
| SCHEMBL9189351 | 0.82 | MAPT (0.39) | — | |
| SCHEMBL9179020 | 0.81 | — | — | |
| SCHEMBL158890 | 0.79 | AKR1C3 (0.31) | — | |
| SCHEMBL164963 | 0.77 | — | — |
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-1969426-B1 | PHOTOPOLYMER COMPOSITION SUITABLE FOR LITHOGRAPHIC PRINTING PLATES | KODAK GRAPHIC COMM GMBH (DE) | 2010-09-22 | — | — | EP | claimed |