⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009623 | 0.84 | HTR2A (0.34) | — | |
| SCHEMBL8010147 | 0.82 | HTR2A (0.33) | — | |
| SCHEMBL8005862 | 0.80 | HTR2A (0.32) | — | |
| SCHEMBL8010017 | 0.73 | ACLY (0.36) | — | |
| SCHEMBL8008288 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL10292799 | 0.60 | MAPT (0.38) | — | |
| SCHEMBL8009669 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL10292925 | 0.60 | — | — | |
| SCHEMBL8000685 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL8010267 | 0.58 | HDAC1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009134987-A1 | DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | WO | disclosed |