⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8618375 | 0.81 | — | — | |
| SCHEMBL8613627 | 0.81 | — | — | |
| SCHEMBL13558086 | 0.71 | — | — | |
| SCHEMBL28851405 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL12292903 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL2608057 | 0.69 | — | — | |
| SCHEMBL24592636 | 0.69 | — | — | |
| Trifluoroethanol SCHEMBL8952016 | 0.69 | — | — | |
| Trifluoroethanol SCHEMBL4869 | 0.69 | — | — | |
| Trifluoroethanol SCHEMBL28192499 | 0.69 | MEN1 (0.36) | — |
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-0837085-A1 | POLYCARBONATE-BASE POLYMER, PRODUCTION PROCESS, RESIN COATING FLUID PREPARED THEREFROM, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR PREPARED THEREFROM | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-04-22 | — | — | EP | disclosed |