⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17897278 | 0.81 | HTR1A (0.31) | — | |
| SCHEMBL15859013 | 0.79 | — | — | |
| SCHEMBL24035086 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL18948513 | 0.77 | HSD11B1 (0.33) | — | |
| SCHEMBL18948456 | 0.75 | — | — | |
| SCHEMBL24091632 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL25090320 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL17897200 | 0.70 | — | — | |
| SCHEMBL22309126 | 0.69 | — | — | |
| SCHEMBL1404079 | 0.69 | MAOB (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160194330-A1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | US | disclosed |