⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL180027 | 0.93 | — | — | |
| SCHEMBL27654468 | 0.86 | — | — | |
| Phosphine SCHEMBL27498582 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27952708 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL27733188 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL23327460 | 0.86 | — | — | |
| SCHEMBL27529534 | 0.86 | — | — | |
| Benzene SCHEMBL27888019 | 0.76 | — | — | |
| SCHEMBL28031039 | 0.72 | — | — | |
| Methylsulfanylmethane SCHEMBL8885070 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7601714-B2 | Pyrimidine derivatives useful as inhibitors of PKC-theta | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| US-20080287410-A1 | PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA | BARBOSA ANTONIO J M | 2008-11-20 | — | — | US | disclosed |
| US-20060025433-A1 | Pyrimidine derivatives useful as inhibitors of PKC-theta | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-02-02 | — | — | US | disclosed |