⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6683321 | 0.89 | — | — | |
| SCHEMBL3068573 | 0.81 | — | — | |
| SCHEMBL3085001 | 0.79 | — | — | |
| SCHEMBL3081582 | 0.65 | GAA (0.32) | — | |
| SCHEMBL6515888 | 0.64 | GRIN2D (0.33) | — | |
| SCHEMBL7079750 | 0.61 | GAA (0.36) | — | |
| SCHEMBL6830524 | 0.61 | ALOX5 (0.30) | — | |
| SCHEMBL3069192 | 0.60 | — | — | |
| SCHEMBL28104 | 0.60 | GRIN2D (0.55) | — | |
| SCHEMBL10012135 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2003060191-A2 | NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |