⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6125672 | 0.82 | — | — | |
| SCHEMBL21798657 | 0.82 | — | — | |
| SCHEMBL6125673 | 0.82 | — | — | |
| SCHEMBL1225908 | 0.72 | — | — | |
| SCHEMBL5197844 | 0.69 | — | — | |
| SCHEMBL960450 | 0.69 | OPRL1 (0.32) | — | |
| SCHEMBL28954718 | 0.67 | — | — | |
| SCHEMBL8763503 | 0.66 | OPRL1 (0.31) | — | |
| SCHEMBL11611798 | 0.64 | — | — | |
| SCHEMBL25568558 | 0.64 | PRMT1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012101065-A2 | PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101066-A1 | PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |