⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29243954 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL10704152 | 0.77 | EPHX1 (0.39) | — | |
| SCHEMBL11016105 | 0.73 | SLC6A4 (0.31) | — | |
| SCHEMBL7656533 | 0.71 | — | — | |
| Bromide SCHEMBL26639925 | 0.69 | — | — | |
| SCHEMBL4977722 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL840007 | 0.64 | GRIA1 (0.32) | — | |
| SCHEMBL25341434 | 0.64 | CYP1A2 (0.31) | — | |
| SCHEMBL21800040 | 0.64 | CASP2 (0.36) | — | |
| SCHEMBL21800057 | 0.62 | CA12 (0.39) | — |
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 |