⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27034780 | 0.82 | ZDHHC20 (0.40) | — | |
| SCHEMBL20795872 | 0.79 | CHRNB2 (0.47) | — | |
| SCHEMBL10245233 | 0.78 | — | — | |
| SCHEMBL27749676 | 0.78 | CYP2D6 (0.43) | — | |
| SCHEMBL10877026 | 0.77 | — | — | |
| SCHEMBL19672964 | 0.77 | EGLN1 (0.38) | — | |
| Water SCHEMBL27829822 | 0.77 | — | — | |
| SCHEMBL7573517 | 0.75 | CHRNB2 (0.40) | — | |
| SCHEMBL7294949 | 0.74 | — | — | |
| SCHEMBL149187 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992002521-A1 | 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-02-20 | — | — | WO | disclosed |