⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL172098 | 0.91 | SLC6A2 (0.31) | — | |
| SCHEMBL9502717 | 0.85 | ESR1 (0.35) | — | |
| SCHEMBL9503180 | 0.84 | NPC1 (0.35) | — | |
| SCHEMBL9506529 | 0.82 | CYP19A1 (0.35) | — | |
| SCHEMBL16575391 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL21919616 | 0.82 | HSD17B10 (0.36) | — | |
| SCHEMBL10336354 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL9503325 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL9503320 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL9503366 | 0.80 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0364548-B1 | OCTAFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-06-09 | — | — | EP | disclosed |