⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18377510 | 0.76 | — | — | |
| SCHEMBL24524493 | 0.72 | — | — | |
| SCHEMBL9618702 | 0.72 | ACHE (0.32) | — | |
| SCHEMBL24546555 | 0.72 | POLB (0.33) | — | |
| SCHEMBL9041415 | 0.70 | — | — | |
| SCHEMBL9043128 | 0.70 | — | — | |
| SCHEMBL9589095 | 0.65 | TP53 (0.39) | — | |
| SCHEMBL7637933 | 0.62 | — | — | |
| SCHEMBL12935407 | 0.60 | MAPK1 (0.34) | — | |
| SCHEMBL5949460 | 0.60 | MAPK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153603-B1 | THERMOSETTING RESIN COMPOSITION, CURED PRODUCT, AND PRODUCTION OF CURED PRODUCT | HITACHI, LTD. (JP) | 1992-01-02 | — | — | EP | disclosed |
| US-4607094-A | Thermosetting resin composition from aromatic cyanamide | HITACHI, LTD. (JP) | 1986-08-19 | — | — | US | disclosed |