⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7080715 | 0.78 | ACHE (0.31) | — | |
| SCHEMBL6683395 | 0.78 | ACHE (0.31) | — | |
| SCHEMBL3071783 | 0.76 | ACHE (0.30) | — | |
| SCHEMBL7079841 | 0.74 | MMP2 (0.34) | — | |
| SCHEMBL6831695 | 0.73 | MMP2 (0.33) | — | |
| SCHEMBL3073084 | 0.73 | — | — | |
| SCHEMBL5566780 | 0.69 | MMP2 (0.31) | — | |
| SCHEMBL6764356 | 0.69 | MMP2 (0.37) | — | |
| SCHEMBL3059122 | 0.69 | — | — | |
| SCHEMBL9639803 | 0.69 | ACHE (0.31) | — |
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 |