⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3708585 | 0.80 | — | — | |
| SCHEMBL28821705 | 0.74 | — | — | |
| SCHEMBL2302645 | 0.70 | — | — | |
| SCHEMBL18285461 | 0.70 | — | — | |
| SCHEMBL24746978 | 0.69 | — | — | |
| SCHEMBL8615839 | 0.69 | CES2 (0.38) | — | |
| SCHEMBL16456208 | 0.69 | — | — | |
| SCHEMBL13857856 | 0.65 | GABRA1 (0.41) | — | |
| SCHEMBL33532087 | 0.62 | — | — | |
| SCHEMBL11273423 | 0.62 | — | — |
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-7834022-B2 | enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease | INCYTE CORPORATION (US) | 2010-11-16 | — | — | US | disclosed |
| US-20080312258-A1 | enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease | INCYTE CORPORATION (US) | 2008-12-18 | — | — | US | disclosed |