⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10668123 | 0.71 | CYP2D6 (0.33) | — | |
| SCHEMBL9302170 | 0.57 | LMNA (0.36) | — | |
| SCHEMBL7831687 | 0.55 | LMNA (0.34) | — | |
| SCHEMBL5656499 | 0.54 | ACE (0.44) | — | |
| SCHEMBL8189717 | 0.54 | ACE (0.44) | — | |
| SCHEMBL6792682 | 0.53 | TSHR (0.45) | — | |
| SCHEMBL10484199 | 0.52 | KMT2A (0.46) | — | |
| SCHEMBL8789761 | 0.51 | APEX1 (0.49) | — | |
| SCHEMBL6141057 | 0.51 | ACE (0.59) | — | |
| SCHEMBL385403 | 0.51 | ACE (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4758575-A | Bi-2H-pyrroli(di)nediones | CIBA-GEIGY CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |