⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464450 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL20262982 | 0.80 | ALPG (0.46) | — | |
| Bromide SCHEMBL28236460 | 0.80 | ALPG (0.44) | — | |
| SCHEMBL28104483 | 0.80 | ALPG (0.44) | — | |
| SCHEMBL25043395 | 0.78 | — | — | |
| SCHEMBL4226466 | 0.78 | KCNH2 (0.46) | — | |
| SCHEMBL2647561 | 0.78 | — | — | |
| SCHEMBL23043461 | 0.78 | — | — | |
| SCHEMBL7021151 | 0.78 | — | — | |
| SCHEMBL4314340 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |