⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8125978 | 0.78 | — | — | |
| SCHEMBL8272024 | 0.73 | — | — | |
| SCHEMBL12650683 | 0.73 | — | — | |
| SCHEMBL10174803 | 0.73 | — | — | |
| SCHEMBL19042831 | 0.73 | — | — | |
| SCHEMBL14302935 | 0.72 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL2170417 | 0.71 | CYP2C19 (0.52) | — | |
| SCHEMBL26948046 | 0.71 | — | — | |
| SCHEMBL25564218 | 0.68 | DPP4 (0.46) | — | |
| SCHEMBL18956931 | 0.68 | DPP4 (0.30) | — |
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-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |