⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1244011 | 0.94 | ALDH1A1 (0.34) | — | |
| SCHEMBL18973145 | 0.86 | — | — | |
| SCHEMBL1506414 | 0.74 | EPHX1 (0.34) | — | |
| SCHEMBL19749998 | 0.68 | ALOX5 (0.33) | — | |
| SCHEMBL5030035 | 0.66 | — | — | |
| SCHEMBL7302508 | 0.65 | GBA1 (0.33) | — | |
| SCHEMBL20477531 | 0.65 | EPHX1 (0.41) | — | |
| SCHEMBL7278841 | 0.65 | — | — | |
| SCHEMBL14646693 | 0.65 | — | — | |
| SCHEMBL6527161 | 0.64 | CYP1A2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0014996-B1 | HETEROCYCLIC SPIRO-AMIDINES, THEIR STEREOISOMERS AND OPTICAL ISOMERS, METHODS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-04-28 | — | — | EP | disclosed |
| US-4277470-A | Heterocyclic spiro-linked amidines, compositions and use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-07 | — | — | US | disclosed |
| EP-0014996-A1 | Heterocyclic spiro-amidines, their stereoisomers and optical isomers, methods for their preparation and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-09-03 | — | — | EP | disclosed |