⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22197007 | 1.00 | — | — | |
| SCHEMBL4550921 | 0.86 | — | — | |
| SCHEMBL17469489 | 0.75 | — | — | |
| SCHEMBL18594874 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL16316938 | 0.71 | — | — | |
| SCHEMBL22986625 | 0.70 | — | — | |
| SCHEMBL24611760 | 0.67 | — | — | |
| SCHEMBL12951671 | 0.65 | — | — | |
| SCHEMBL21736924 | 0.64 | — | — | |
| SCHEMBL21737032 | 0.63 | — | — |
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-2018057588-A1 | FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-03-29 | — | — | WO | disclosed |