⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10136498 | 0.82 | — | — | |
| SCHEMBL1486113 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL9953286 | 0.69 | — | — | |
| SCHEMBL10160976 | 0.69 | PEPD (0.33) | — | |
| SCHEMBL8937989 | 0.68 | HSD17B10 (0.38) | — | |
| SCHEMBL8382242 | 0.66 | TSHR (0.55) | — | |
| SCHEMBL6808152 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL14353701 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL486485 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL19384588 | 0.63 | TSHR (0.44) | — |
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-7449458-B2 | Autoimmune diseases; water solubility of prodrug can be tailored to improve bioavailability using substution at amine groups; inhibitors of degranulation of immune cells; inhibit/activate Fc receptor signaling cascades; tyrosine kinase Syk kinase inhibitor; collagen-induced platelet activation inhibitor | RIGEL PHARMACEUTICALS, INC. (US) | 2008-11-11 | — | — | US | disclosed |