⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15958788 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL12674173 | 0.76 | CA12 (0.35) | — | |
| SCHEMBL12674337 | 0.72 | HSD17B10 (0.36) | — | |
| SCHEMBL12667099 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL12667093 | 0.70 | CA12 (0.33) | — | |
| SCHEMBL12674253 | 0.70 | CA12 (0.33) | — | |
| SCHEMBL12674342 | 0.68 | CA12 (0.30) | — | |
| SCHEMBL22958170 | 0.67 | — | — | |
| SCHEMBL12667088 | 0.65 | CA12 (0.31) | — | |
| SCHEMBL12667104 | 0.64 | HSD17B10 (0.36) | — |
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-20110102528-A1 | COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND INKJET RECORDING METHOD | FUJIFILM CORPORATION (JP) | 2011-05-05 | — | — | US | disclosed |