⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25398783 | 0.77 | — | — | |
| SCHEMBL9159764 | 0.77 | — | — | |
| SCHEMBL872419 | 0.74 | HDAC8 (0.33) | — | |
| SCHEMBL31178337 | 0.73 | — | — | |
| SCHEMBL28492128 | 0.73 | — | — | |
| SCHEMBL17099274 | 0.73 | — | — | |
| SCHEMBL6887027 | 0.73 | — | — | |
| SCHEMBL8270697 | 0.73 | — | — | |
| SCHEMBL12805217 | 0.73 | — | — | |
| SCHEMBL16399059 | 0.72 | ADRB1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137545-A | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | 美国安进公司 | 2018-06-08 | — | — | CN | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |
| WO-2008132502-A1 | PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-11-06 | — | — | WO | disclosed |