⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12982335 | 0.98 | TYR (0.31) | — | |
| SCHEMBL12587471 | 0.98 | TYR (0.31) | — | |
| SCHEMBL12610352 | 0.94 | — | — | |
| SCHEMBL12544312 | 0.93 | ESR1 (0.31) | — | |
| SCHEMBL12610349 | 0.92 | — | — | |
| SCHEMBL12610241 | 0.92 | — | — | |
| SCHEMBL12610354 | 0.90 | — | — | |
| SCHEMBL19342864 | 0.88 | TYR (0.31) | — | |
| SCHEMBL12587577 | 0.87 | TYR (0.31) | — | |
| SCHEMBL12610544 | 0.86 | TYR (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 |
|---|---|---|---|---|---|---|---|
| US-20180224392-A1 | SEMICONDUCTOR ELEMENT, METHOD FOR MANUFACTURING SAME, AND SENSOR IN WHICH SAME IS USED | TORAY INDUSTRIES, INC. (JP) | 2018-08-09 | — | — | US | disclosed |