⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13733948 | 0.78 | LMNA (0.45) | — | |
| SCHEMBL1963675 | 0.78 | — | — | |
| SCHEMBL1965186 | 0.74 | — | — | |
| SCHEMBL24378450 | 0.73 | CA12 (0.30) | — | |
| SCHEMBL1963120 | 0.73 | CA12 (0.30) | — | |
| SCHEMBL28338925 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL21640729 | 0.69 | APLNR (0.32) | — | |
| SCHEMBL619107 | 0.67 | — | — | |
| SCHEMBL9428236 | 0.67 | — | — | |
| SCHEMBL4207696 | 0.67 | MEN1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0169603-B1 | PREPARATION OF N-SUBSTITUTED-3-CYANO AZETIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-02-22 | — | — | EP | claimed |
| EP-0169603-A1 | Preparation of N-substituted-3-cyano azetidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-01-29 | — | — | EP | claimed |
| EP-0169603-B1 | PREPARATION OF N-SUBSTITUTED-3-CYANO AZETIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-02-22 | — | — | EP | disclosed |
| EP-0169603-A1 | Preparation of N-substituted-3-cyano azetidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-01-29 | — | — | EP | disclosed |