⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27703040 | 0.79 | — | — | |
| SCHEMBL3711696 | 0.79 | — | — | |
| SCHEMBL9639817 | 0.78 | — | — | |
| SCHEMBL4450663 | 0.78 | — | — | |
| SCHEMBL15804824 | 0.76 | EGFR (0.42) | — | |
| SCHEMBL1934747 | 0.76 | MCL1 (0.39) | — | |
| SCHEMBL7523076 | 0.76 | MCL1 (0.43) | — | |
| SCHEMBL1934745 | 0.76 | MCL1 (0.39) | — | |
| SCHEMBL15804809 | 0.76 | EGFR (0.42) | — | |
| SCHEMBL28312635 | 0.74 | EGFR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5773470-A | TREATING RHEUMATIC DISEASES, AUTOIMMUNE DISEASES AND REJECTION REACTIONS DUE TO ORGAN TRANSPLANTING | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-30 | — | — | US | disclosed |
| US-5747664-A | N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |