⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9681470 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15532176 | 0.97 | — | — | |
| Iodide SCHEMBL11468894 | 0.95 | — | — | |
| SCHEMBL8539633 | 0.83 | — | — | |
| Bromide SCHEMBL11737132 | 0.81 | — | — | |
| SCHEMBL2660892 | 0.74 | — | — | |
| SCHEMBL8539868 | 0.73 | INMT (0.56) | — | |
| SCHEMBL5509823 | 0.73 | — | — | |
| SCHEMBL14580451 | 0.71 | INMT (0.54) | — | |
| SCHEMBL11627926 | 0.69 | — | — |
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-0052912-B1 | 7-FLUORO-DIBENZO(B,F)THIEPIN DERIVATIVES, THEIR PREPARATION AND RESOLUTION, AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1985-02-06 | — | — | EP | claimed |
| EP-0138533-A2 | 6H-dibenz(b,f)thiepin compounds | MERCK FROSST CANADA INC. (CA) | 1985-04-24 | — | — | EP | disclosed |