⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8223914 | 1.00 | — | — | |
| SCHEMBL10184354 | 0.84 | — | — | |
| SCHEMBL26691398 | 0.78 | — | — | |
| SCHEMBL18900637 | 0.78 | — | — | |
| SCHEMBL2602787 | 0.78 | — | — | |
| SCHEMBL29317625 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL31550910 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL537620 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29189779 | 0.76 | — | — | |
| SCHEMBL8224299 | 0.71 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240393298-A1 | MASS SPECTROMETRY-COMPATIBLE PH GRADIENT BUFFER SYSTEM | PHENOMENEX, INC. (US) | 2024-11-28 | — | — | US | claimed |
| US-20240393298-A1 | MASS SPECTROMETRY-COMPATIBLE PH GRADIENT BUFFER SYSTEM | PHENOMENEX, INC. (US) | 2024-11-28 | — | — | US | disclosed |
| EP-4359786-A1 | MASS SPECTROMETRY-COMPATIBLE PH GRADIENT BUFFER SYSTEM | Phenomenex, Inc. (US) | 2024-05-01 | — | — | EP | disclosed |
| US-20230020329-A1 | Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof | Ivachtchenko Alexandrovna Alena (US) | 2023-01-19 | — | — | US | disclosed |
| WO-2022271853-A1 | MASS SPECTROMETRY-COMPATIBLE PH GRADIENT BUFFER SYSTEM | PHENOMENEX, INC. (US) | 2022-12-29 | — | — | WO | disclosed |
| EP-3978503-A1 | ANNELATED 9-HYDROXY-1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-7-CARBOXAMIDES AS HIV INTEGRASE INHIBITORS | Ivachtchenko, Alena Alexandrovna (US) | 2022-04-06 | — | — | EP | disclosed |
| CN-113710675-A | Fused 9-hydroxy-1, 8-dioxo-1, 3,4, 8-tetrahydro-2H-pyrido [1,2-a ] pyrazine-7-carboxamides as HIV integrase inhibitors | 亚历山大·瓦西里耶维奇·伊瓦切恩科 | 2021-11-26 | — | — | CN | disclosed |
| WO-2021018287-A1 | SPIROAROMATIC COMPOUND, PREPARATION AND APPLICATION THEREOF | 上海奕拓医药科技有限责任公司 | 2021-02-04 | — | — | WO | disclosed |
| WO-2020246910-A1 | ANNELATED 9-HYDROXY-1,8-DIOXO-1,3,4,8-TETRAHYDRO-2Н-PYRIDO[1,2-α]PYRAZINE-7-CARBOXAMIDES AS HIV INTEGRASE INHIBITORS | ИВАЩЕНКО, Александл Васильевич | 2020-12-10 | — | — | WO | disclosed |
| US-20160194320-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBVIE DEUTSCHLAND (DE) | 2016-07-07 | — | — | US | disclosed |
| US-9266855-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-02-23 | — | — | US | disclosed |
| US-20160016932-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-21 | — | — | US | disclosed |
| US-8389442-B2 | N-phenyl-′(4-pyridyl)-azinyl!amine derivatives as plant protection agents | SYNGENTA CROP PROTECTION LLC (US) | 2013-03-05 | — | — | US | disclosed |
| US-20120077840-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2012-03-29 | — | — | US | disclosed |
| EP-1613156-B1 | N-PHENYL- \" (4-PYRIDYL)- AZINYL]AMINE DERIVATIVES AS PLANT PROTECTION AGENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2009-05-06 | — | — | EP | disclosed |
| WO-2007140184-A2 | DEOXYNOJIRIMYCIN AND D-ARABINITOL ANALOGS AND METHODS OF USING | UNITED THERAPEUTICS CORPORATION (US) | 2007-12-06 | — | — | WO | disclosed |
| US-20070032490-A1 | N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents | SYNGENTA CROP PROTECTION, INC. | 2007-02-08 | — | — | US | disclosed |