⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8635127 | 0.70 | RAB9A (0.30) | — | |
| SCHEMBL8636176 | 0.67 | — | — | |
| SCHEMBL19326659 | 0.67 | — | — | |
| SCHEMBL8638711 | 0.65 | — | — | |
| SCHEMBL19321651 | 0.62 | RAB9A (0.32) | — | |
| SCHEMBL11696750 | 0.55 | — | — | |
| SCHEMBL11695469 | 0.54 | TSHR (0.33) | — | |
| SCHEMBL24597192 | 0.54 | POLB (0.37) | — | |
| SCHEMBL18821564 | 0.54 | POLB (0.30) | — | |
| SCHEMBL14609687 | 0.54 | CTSL (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-0687258-B1 | SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT | HOECHST AG (DE) | 1998-07-22 | — | — | EP | disclosed |
| EP-0687258-A1 | SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994020482-A1 | SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-09-15 | — | — | WO | disclosed |