⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1352284 | 1.00 | — | — | |
| SCHEMBL56946 | 1.00 | — | — | |
| SCHEMBL24760387 | 0.97 | GAA (0.33) | — | |
| Methane SCHEMBL7933332 | 0.97 | GAA (0.33) | — | |
| Hydrochloric Acid SCHEMBL4599773 | 0.97 | GAA (0.33) | — | |
| SCHEMBL2377412 | 0.92 | — | — | |
| SCHEMBL2844103 | 0.92 | — | — | |
| SCHEMBL2841707 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4650501 | 0.89 | — | — | |
| SCHEMBL7933335 | 0.83 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019183364-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019067843-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. (US) | 2019-04-04 | — | — | WO | disclosed |
| US-8129411-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| EP-2420491-A1 | 3 , 5-substitued piperidine compounds as renin inhibitors | Novartis AG (CH) | 2012-02-22 | — | — | EP | disclosed |
| US-20090227601-A1 | Bradykinin 1 Receptor Antagonists | AMGEN INC. (US) | 2009-09-10 | — | — | US | disclosed |
| US-20090192148-A1 | Organic Compounds | NOVARTIS AG (CH) | 2009-07-30 | — | — | US | disclosed |
| CN-101365680-A | 3, 5-substituted piperidine compounds as renin inhibitors | NOVARTIS AG (CH) | 2009-02-11 | — | — | CN | disclosed |
| EP-1968940-A1 | 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| EP-1963285-A1 | BRADYKININ 1 RECEPTOR ANTAGONISTS | Amgen Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007077005-A1 | 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |
| WO-2007067629-A1 | BRADYKININ 1 RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 2007-06-14 | — | — | WO | disclosed |