⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27871468 | 0.86 | GAA (0.34) | — | |
| SCHEMBL28033475 | 0.84 | GAA (0.35) | — | |
| SCHEMBL28033474 | 0.80 | GAA (0.35) | — | |
| SCHEMBL9193457 | 0.77 | CYP2C19 (0.40) | — | |
| SCHEMBL27852169 | 0.77 | USP2 (0.42) | — | |
| SCHEMBL8787446 | 0.76 | — | — | |
| SCHEMBL28025815 | 0.76 | GAA (0.38) | — | |
| SCHEMBL27978911 | 0.75 | — | — | |
| SCHEMBL27979127 | 0.74 | — | — | |
| SCHEMBL27852083 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102741240-B | Pyrimidine compounds as delta opioid receptor modulators | JANSSEN PHARMACEUTICA NV | 2015-05-06 | — | — | CN | disclosed |
| CN-102741240-A | Pyrimidine compounds as delta opioid receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-10-17 | — | — | CN | disclosed |