⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20336492 | 0.83 | HRH4 (0.34) | — | |
| SCHEMBL9696726 | 0.80 | — | — | |
| SCHEMBL9547105 | 0.80 | DPP4 (0.37) | — | |
| Acetonitrile SCHEMBL9547113 | 0.78 | HRH4 (0.32) | — | |
| SCHEMBL9698944 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL9697580 | 0.77 | CASP1 (0.37) | — | |
| SCHEMBL9697565 | 0.76 | CASP1 (0.32) | — | |
| SCHEMBL9698992 | 0.76 | — | — | |
| SCHEMBL9699402 | 0.74 | CASP1 (0.37) | — | |
| SCHEMBL13866348 | 0.73 | MEN1 (0.31) | — |
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 |