⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12369240 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL525197 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL98887 | 0.75 | CYP17A1 (0.32) | — | |
| SCHEMBL10169438 | 0.74 | — | — | |
| SCHEMBL19261086 | 0.73 | CYP17A1 (0.31) | — | |
| SCHEMBL22544522 | 0.73 | CYP17A1 (0.31) | — | |
| SCHEMBL18782771 | 0.72 | CYP17A1 (0.35) | — | |
| SCHEMBL10169426 | 0.72 | — | — | |
| SCHEMBL14612379 | 0.72 | CYP17A1 (0.33) | — | |
| SCHEMBL686051 | 0.71 | TSHR (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-20120028188-A1 | PHOTORESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-02-02 | — | — | US | disclosed |