⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14363521 | 0.85 | LPAR3 (0.39) | — | |
| SCHEMBL7681089 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL11318552 | 0.78 | LPAR3 (0.43) | — | |
| SCHEMBL11318550 | 0.78 | LPAR3 (0.43) | — | |
| SCHEMBL20446767 | 0.77 | LPAR3 (0.36) | — | |
| SCHEMBL8377823 | 0.77 | — | — | |
| SCHEMBL20991381 | 0.76 | LPAR3 (0.44) | — | |
| SCHEMBL9423015 | 0.76 | LPAR3 (0.38) | — | |
| SCHEMBL23937077 | 0.75 | LPAR3 (0.59) | — | |
| SCHEMBL15505330 | 0.75 | LPAR3 (0.35) | — |
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-2009064955-A1 | MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | disclosed |