⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11475296 | 0.92 | — | — | |
| SCHEMBL2738379 | 0.83 | — | — | |
| SCHEMBL7092880 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL17122499 | 0.73 | — | — | |
| SCHEMBL11494592 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL27647169 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL1052884 | 0.72 | — | — | |
| SCHEMBL11229957 | 0.72 | — | — | |
| Bicarbonate SCHEMBL11493509 | 0.71 | CHRM3 (0.37) | — | |
| SCHEMBL24727543 | 0.69 | GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0011670-A2 | Cycloheptatriene derivatives and process for their preparation | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |