⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1119309 | 0.74 | — | — | |
| SCHEMBL9001646 | 0.74 | CES2 (0.35) | — | |
| SCHEMBL8388412 | 0.70 | CA1 (0.41) | — | |
| SCHEMBL11668159 | 0.69 | LPAR3 (0.43) | — | |
| SCHEMBL7780330 | 0.67 | LPAR3 (0.46) | — | |
| SCHEMBL371404 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL779394 | 0.67 | PGK1 (0.31) | — | |
| SCHEMBL373958 | 0.63 | FNTA (0.33) | — | |
| SCHEMBL8388317 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL3228831 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7923197-B2 | Lithographic printing plate precursor | FUJIFILM CORPORATION (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20090246692-A1 | LITHOGRAPHIC PRINTING PLATE PRECURSOR | FUJIFILM CORPORATION (JP) | 2009-10-01 | — | — | US | disclosed |