⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4366853 | 0.71 | — | — | |
| SCHEMBL9609356 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL576102 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL321209 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL3297818 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL301944 | 0.67 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL11271021 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL10127906 | 0.65 | CA1 (0.33) | — | |
| SCHEMBL357194 | 0.65 | ALDH1A1 (0.38) | — | |
| Water SCHEMBL9500989 | 0.65 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20120135348-A1 | ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, AND PATTERN FORMING METHOD | FUJIFILM CORPORATION (JP) | 2012-05-31 | — | — | US | disclosed |