⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8829065 | 0.73 | PNMT (0.33) | — | |
| SCHEMBL13806345 | 0.71 | — | — | |
| SCHEMBL16648087 | 0.67 | — | — | |
| SCHEMBL20113039 | 0.67 | — | — | |
| SCHEMBL18060 | 0.66 | — | — | |
| SCHEMBL1035408 | 0.66 | NOS3 (0.36) | — | |
| SCHEMBL11053721 | 0.66 | CYP2D6 (0.41) | — | |
| SCHEMBL10790955 | 0.66 | — | — | |
| SCHEMBL3207263 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL3055814 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8420653-B2 | Pyrimidine compounds and their uses | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2013-04-16 | — | — | US | disclosed |
| US-8420653-B2 | Pyrimidine compounds and their uses | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2013-04-16 | — | — | US | disclosed |
| US-20100329998-A1 | NOVEL HETEROCYCLES | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2010-12-30 | — | — | US | disclosed |
| US-20100329998-A1 | NOVEL HETEROCYCLES | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2010-12-30 | — | — | US | disclosed |