⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14651554 | 0.85 | — | — | |
| SCHEMBL14317168 | 0.83 | — | — | |
| SCHEMBL9070721 | 0.79 | — | — | |
| SCHEMBL9947088 | 0.73 | — | — | |
| SCHEMBL13089912 | 0.72 | — | — | |
| SCHEMBL15457600 | 0.70 | STAT3 (0.35) | — | |
| SCHEMBL1604234 | 0.70 | STAT3 (0.35) | — | |
| SCHEMBL9971812 | 0.70 | ESR2 (0.32) | — | |
| SCHEMBL9971822 | 0.70 | ESR2 (0.32) | — | |
| SCHEMBL16602152 | 0.68 | ESR2 (0.33) | — |
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-20070238706-A1 | Metabolic bone disease; psoriasis; leukemia; colon, breast, prostate, skin, lung cancer; multiple sclerosis; lupus; diabetes mellitus; host versus graft reaction; rejection of organ transplants; an inflammatory disease selected from rheumatoid arthritis, asthma, psoriasis | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2007-10-11 | — | — | US | disclosed |