⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29209275 | 0.70 | — | — | |
| SCHEMBL12517983 | 0.70 | — | — | |
| SCHEMBL27740332 | 0.69 | — | — | |
| SCHEMBL4485655 | 0.67 | — | — | |
| SCHEMBL12384371 | 0.65 | — | — | |
| SCHEMBL11681863 | 0.63 | — | — | |
| SCHEMBL25005654 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL3416717 | 0.63 | — | — | |
| SCHEMBL7620114 | 0.63 | — | — | |
| SCHEMBL11911962 | 0.63 | — | — |
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-6825361-B2 | EPOXY-AMINE ADDUCTS; ELECTRODEPOSITED FINISHES WITH REDUCED WEIGHT LOSS WHEN HEATED TO CURE | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-11-30 | — | — | US | disclosed |
| US-20040084313-A1 | Cathodic electrocoating compositions containing hydroxyl-carbonate blocked polyisocyanate crosslinking agent | PALADIN PHARMA INC. (CA) | 2004-05-06 | — | — | US | disclosed |