⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8795166 | 0.84 | — | — | |
| SCHEMBL8795159 | 0.81 | — | — | |
| SCHEMBL8795958 | 0.79 | GRIN2D (0.45) | — | |
| SCHEMBL4705129 | 0.72 | — | — | |
| SCHEMBL8796306 | 0.70 | PARP1 (0.44) | — | |
| SCHEMBL7411074 | 0.69 | — | — | |
| SCHEMBL7408863 | 0.68 | — | — | |
| SCHEMBL8818690 | 0.68 | — | — | |
| SCHEMBL7847926 | 0.65 | — | — | |
| SCHEMBL8894170 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752993-A1 | 1,2,4-TRIAZOLO[4,3-a]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME | Aventis Pharma S.A. (FR) | 1997-01-15 | — | — | EP | claimed |
| WO-1995026351-A1 | 1,2,4-TRIAZOLO[4,3-a]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME | RHONE-POULENC RORER S.A. (FR) | 1995-10-05 | — | — | WO | claimed |
| EP-0729472-A4 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0752993-A1 | 1,2,4-TRIAZOLO[4,3-a]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME | Aventis Pharma S.A. (FR) | 1997-01-15 | — | — | EP | disclosed |
| EP-0729472-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995026351-A1 | 1,2,4-TRIAZOLO[4,3-a]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME | RHONE-POULENC RORER S.A. (FR) | 1995-10-05 | — | — | WO | disclosed |