⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6277605 | 0.86 | — | — | |
| SCHEMBL25188572 | 0.86 | — | — | |
| SCHEMBL932416 | 0.83 | GNAI3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL15819855 | 0.81 | GNAI3 (0.42) | — | |
| SCHEMBL1559571 | 0.78 | KCNA3 (0.35) | — | |
| SCHEMBL5782894 | 0.78 | — | — | |
| SCHEMBL2559725 | 0.78 | CARM1 (0.48) | — | |
| SCHEMBL28374092 | 0.78 | — | — | |
| SCHEMBL2661562 | 0.76 | — | — | |
| SCHEMBL5071750 | 0.75 | — | — |
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-7524852-B2 | Bicyclic pyrimidine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-04-28 | — | — | US | disclosed |
| US-20070037834-A1 | Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2007-02-15 | — | — | US | disclosed |