⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14874308 | 0.89 | SIGMAR1 (0.30) | — | |
| Bromide SCHEMBL9388972 | 0.87 | — | — | |
| SCHEMBL27948056 | 0.77 | — | — | |
| SCHEMBL11519786 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL8577284 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL9073132 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL13892957 | 0.74 | EPHX1 (0.35) | — | |
| SCHEMBL8577287 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL11519789 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL9876981 | 0.74 | — | — |
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-2675774-A1 | PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012111849-A1 | PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-23 | — | — | WO | disclosed |