⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3074509 | 0.95 | MEN1 (0.30) | — | |
| SCHEMBL3076665 | 0.82 | CYP2C19 (0.32) | — | |
| SCHEMBL3086910 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL3074530 | 0.73 | ACHE (0.50) | — | |
| SCHEMBL3058546 | 0.72 | EPHX1 (0.35) | — | |
| SCHEMBL3064779 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL6827697 | 0.68 | MAPT (0.39) | — | |
| SCHEMBL3085920 | 0.66 | — | — | |
| SCHEMBL2735351 | 0.66 | MAPT (0.39) | — | |
| SCHEMBL3746235 | 0.65 | NOS3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003060192-A1 | NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |