⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL106971 | 0.86 | CYP17A1 (0.34) | — | |
| SCHEMBL107130 | 0.79 | NPSR1 (0.36) | — | |
| SCHEMBL14883977 | 0.78 | NPSR1 (0.36) | — | |
| SCHEMBL14883979 | 0.78 | NPSR1 (0.36) | — | |
| SCHEMBL2682043 | 0.78 | CYP17A1 (0.30) | — | |
| SCHEMBL13446232 | 0.77 | NPSR1 (0.33) | — | |
| SCHEMBL14883985 | 0.76 | NPSR1 (0.33) | — | |
| SCHEMBL12932666 | 0.76 | NPSR1 (0.37) | — | |
| SCHEMBL18776583 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL16575752 | 0.75 | CYP17A1 (0.32) | — |
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-8871642-B2 | Method of forming pattern and developer for use in the method | FUJIFILM CORPORATION (JP) | 2014-10-28 | — | — | US | disclosed |
| US-20130113082-A1 | METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |