⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL86129 | 1.00 | — | — | |
| SCHEMBL234569 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL81889 | 0.97 | — | — | |
| SCHEMBL4369930 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27129574 | 0.97 | — | — | |
| SCHEMBL11730502 | 0.97 | CYP2D6 (0.52) | — | |
| Hydrochloric Acid SCHEMBL12076373 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4717614 | 0.97 | KMT2A (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL20699482 | 0.97 | CYP2D6 (0.47) | — | |
| Hydrochloric Acid SCHEMBL29464216 | 0.97 | KMT2A (0.47) | — |
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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102626655-B | Aldol reaction catalyst and preparation method and application thereof | UNIV SUN YAT SEN | 2013-07-31 | — | — | CN | claimed |
| CN-102626655-A | Aldol reaction catalyst and preparation method and application thereof | UNIV SUN YAT SEN | 2012-08-08 | — | — | CN | claimed |
| US-20240279238-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2024-08-22 | — | — | US | disclosed |
| US-20230112832-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | UNIV EMORY (US) | 2023-04-13 | — | — | US | disclosed |
| EP-3045206-B2 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2023-02-15 | — | — | EP | disclosed |
| EP-3045206-B2 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2023-02-15 | — | — | EP | disclosed |
| US-20220213121-A1 | SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2022-07-07 | — | — | US | disclosed |
| US-20220213121-A1 | SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2022-07-07 | — | — | US | disclosed |
| US-11267823-B2 | Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2022-03-08 | — | — | US | disclosed |
| EP-3372281-B1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2021-07-07 | — | — | EP | disclosed |
| EP-3372281-B1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2021-07-07 | — | — | EP | disclosed |
| US-20070225292-A1 | Therapeutic Compounds: Pyridine as Scaffold | ASTRAZENECA AB (SE) | 2007-09-27 | — | — | US | disclosed |
| CN-101001840-A | Therapeutic compounds: pyridines as skeletons | ASTRAZENECA AB (SE) | 2007-07-18 | — | — | CN | disclosed |
| EP-1756060-A1 | THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD | AstraZeneca AB (SE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1636193-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | AstraZeneca AB (SE) | 2006-03-22 | — | — | EP | disclosed |
| WO-2005115986-A1 | THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | WO | disclosed |
| WO-2004108688-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | ASTRAZENECA AB (SE) | 2004-12-16 | — | — | WO | disclosed |
| EP-1108053-A1 | METHOD FOR PREPARING (2R)-PIPERIDINE DERIVATIVES | LONZA A.G. (CH) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012745-A1 | METHOD FOR PREPARING (2R)-PIPERIDINE DERIVATIVES | LONZA AG (CH) | 2000-03-09 | — | — | WO | disclosed |
| US-4760065-A | Trans(-)-10aR-7,8,9,10,10a,11-hexahydro-2-trifluoromethyl -13H-pyrido(1',2':3, 4)imidazo(2, 1b)quinozoline-13-one | HARDTMANN GOETZ E (US) | 1988-07-26 | — | — | US | disclosed |