⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4141996 | 0.89 | — | — | |
| SCHEMBL4142299 | 0.85 | MAPT (0.55) | — | |
| SCHEMBL4139018 | 0.82 | LMNA (0.48) | — | |
| SCHEMBL4145093 | 0.81 | LMNA (0.47) | — | |
| SCHEMBL4138295 | 0.80 | — | — | |
| SCHEMBL4556713 | 0.80 | PTGER4 (0.45) | — | |
| SCHEMBL4137664 | 0.79 | LMNA (0.46) | — | |
| SCHEMBL4130005 | 0.79 | — | — | |
| SCHEMBL4144348 | 0.79 | MAPT (0.65) | — | |
| SCHEMBL4137712 | 0.79 | KDM1A (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | claimed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | claimed |