⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9312668 | 0.69 | ESR1 (0.33) | — | |
| SCHEMBL9313582 | 0.66 | IAPP (0.39) | — | |
| SCHEMBL9312656 | 0.63 | MAPT (0.48) | — | |
| SCHEMBL13377107 | 0.57 | CYP2D6 (0.43) | — | |
| SCHEMBL4685684 | 0.44 | — | — | |
| SCHEMBL13662684 | 0.42 | — | — | |
| SCHEMBL1961108 | 0.40 | SELL (0.47) | — | |
| SCHEMBL376880 | 0.39 | — | — | |
| SCHEMBL2402822 | 0.36 | — | — | |
| SCHEMBL10826817 | 0.34 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5366996-A | Administering hydroxamic acids | ELFORD HOWARD L (US) | 1994-11-22 | — | — | US | disclosed |
| US-5183828-A | Ribonucleotide reductase inhibitor and free radical scavenger | RIET BARTHOLOMEUS VAN T (US) | 1993-02-02 | — | — | US | disclosed |
| US-4942253-A | INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS | RIET BARTHOLOMEUS VAN T (US) | 1990-07-17 | — | — | US | disclosed |
| US-4623659-A | RIBONUCLEOTIDE REDUCTASE INHIBITORS | RIET BARTHOLOMEUS VAN T (US) | 1986-11-18 | — | — | US | disclosed |