⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14727766 | 0.88 | CYP17A1 (0.36) | — | |
| SCHEMBL14731107 | 0.88 | — | — | |
| SCHEMBL14700417 | 0.87 | — | — | |
| SCHEMBL14727763 | 0.83 | PRKCA (0.35) | — | |
| SCHEMBL685858 | 0.83 | CYP17A1 (0.30) | — | |
| SCHEMBL14727807 | 0.81 | CYP17A1 (0.32) | — | |
| SCHEMBL14731206 | 0.76 | CYP17A1 (0.34) | — | |
| SCHEMBL686145 | 0.75 | CYP17A1 (0.30) | — | |
| SCHEMBL14727739 | 0.75 | — | — | |
| SCHEMBL686141 | 0.75 | EPHX2 (0.30) | — |
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-8741544-B2 | Salt, photoresist composition and method for producing photoresist pattern | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-06-03 | — | — | US | disclosed |
| US-20130052588-A1 | SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-02-28 | — | — | US | disclosed |