⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4896346 | 0.71 | CYP17A1 (0.35) | — | |
| SCHEMBL19135894 | 0.68 | OPRM1 (0.32) | — | |
| SCHEMBL3103307 | 0.60 | — | — | |
| SCHEMBL24618702 | 0.58 | ADH1C (0.31) | — | |
| SCHEMBL9813694 | 0.58 | ABCB1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL11222759 | 0.58 | MAPT (0.31) | — | |
| SCHEMBL4897293 | 0.58 | — | — | |
| SCHEMBL12166897 | 0.57 | MCHR1 (0.32) | — | |
| SCHEMBL633120 | 0.57 | MCHR1 (0.32) | — | |
| SCHEMBL12438852 | 0.57 | MCHR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1783148-B1 | HIGH-MOLECULAR COMPOUND, ACID GENERATOR, POSITIVE RESIST COMPOSITIONS, AND METHOD FOR FORMATION OF RESIST PATTERNS | TOKYO OHKA KOGYO CO LTD (JP) | 2009-06-10 | — | — | EP | disclosed |