⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3503342 | 0.78 | TXN (0.55) | — | |
| SCHEMBL1740306 | 0.78 | TXN (0.45) | — | |
| SCHEMBL25570 | 0.74 | — | — | |
| SCHEMBL8874 | 0.74 | — | — | |
| SCHEMBL7658753 | 0.74 | — | — | |
| SCHEMBL7807377 | 0.74 | — | — | |
| SCHEMBL1145987 | 0.74 | — | — | |
| SCHEMBL317286 | 0.74 | — | — | |
| SCHEMBL29111458 | 0.74 | — | — | |
| SCHEMBL4686120 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6384065-B1 | CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-05-07 | — | — | US | disclosed |