⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765060 | 0.75 | — | — | |
| SCHEMBL82375 | 0.71 | — | — | |
| SCHEMBL19367027 | 0.71 | — | — | |
| SCHEMBL12665750 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL18155302 | 0.69 | CES1 (0.38) | — | |
| SCHEMBL5976281 | 0.69 | — | — | |
| SCHEMBL21937627 | 0.69 | — | — | |
| SCHEMBL15996502 | 0.69 | — | — | |
| SCHEMBL575130 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL17546234 | 0.66 | CES1 (0.31) | — |
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-20180127543-A1 | ORGANIC FLUORINE COMPOUND AND LUBRICANT | SHOWA DENKO K.K. (JP) | 2018-05-10 | — | — | US | disclosed |