⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151989 | 0.92 | — | — | |
| SCHEMBL10531966 | 0.89 | — | — | |
| SCHEMBL8470421 | 0.80 | — | — | |
| SCHEMBL580325 | 0.79 | — | — | |
| SCHEMBL8638031 | 0.78 | — | — | |
| SCHEMBL9785460 | 0.77 | — | — | |
| SCHEMBL17747969 | 0.77 | GABRA1 (0.34) | — | |
| SCHEMBL14299607 | 0.77 | — | — | |
| SCHEMBL10341834 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL9810488 | 0.77 | KDM4E (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0364548-B1 | OCTAFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-06-09 | — | — | EP | disclosed |
| EP-0364548-A1 | OCTAFLUOROBIPHENYLS. | MERCK PATENT GMBH (DE) | 1990-04-25 | — | — | EP | disclosed |
| WO-1989009203-A1 | OCTAFLUOROBIPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-10-05 | — | — | WO | disclosed |