⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8734690 | 1.00 | — | — | |
| SCHEMBL8734689 | 1.00 | — | — | |
| SCHEMBL9260380 | 0.76 | CHRM2 (0.50) | — | |
| SCHEMBL9260377 | 0.76 | CHRM2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL9257066 | 0.75 | CHRM2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL9257070 | 0.75 | CHRM2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL194267 | 0.73 | CHRM2 (0.47) | — | |
| SCHEMBL12043329 | 0.72 | CHRM3 (0.34) | — | |
| SCHEMBL9361868 | 0.71 | — | — | |
| SCHEMBL11580392 | 0.71 | — | — |
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-0239445-B1 | 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXALDEHYDE OXIME DERIVATIVES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS MEDICINES | ROUSSEL-UCLAF (FR) | 1992-05-13 | — | — | EP | disclosed |
| EP-0239445-A2 | 1,2,5,6-Tetrahydropyridine-3-carboxaldehyde oxime derivatives, process for their preparation, compositions containing them and their use as medicines | ROUSSEL-UCLAF (FR) | 1987-09-30 | — | — | EP | disclosed |