⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30624297 | 0.72 | — | — | |
| SCHEMBL22362306 | 0.71 | — | — | |
| SCHEMBL3084499 | 0.71 | CYP2C19 (0.39) | — | |
| SCHEMBL545472 | 0.71 | — | — | |
| SCHEMBL7044598 | 0.67 | — | — | |
| SCHEMBL8548278 | 0.67 | — | — | |
| SCHEMBL29875992 | 0.67 | — | — | |
| SCHEMBL5706274 | 0.67 | — | — | |
| SCHEMBL845998 | 0.67 | — | — | |
| SCHEMBL14272008 | 0.63 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0807617-B1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | KYOWA YUKA KK (JP) | 2003-04-02 | — | — | EP | claimed |
| EP-0807617-A1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | Kyowa Yuka Co., Ltd. (JP) | 1997-11-19 | — | — | EP | claimed |
| EP-2300478-B1 | 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-03-23 | — | — | EP | disclosed |
| US-9102679-B2 | Compounds for the treatment of CNS disorders | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-11 | — | — | US | disclosed |
| US-9096603-B2 | 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-20140350025-A1 | COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-27 | — | — | US | disclosed |
| CN-101983199-B | 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-d] pyrimidin-4-one derivatives and their use as pde9a modulators | BOEHRINGER INGELHEIM INT | 2014-11-05 | — | — | CN | disclosed |
| US-20140073641-A1 | 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-13 | — | — | US | disclosed |
| EP-2414363-B1 | 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2014-01-08 | — | — | EP | disclosed |
| US-8623879-B2 | 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivates and their use as PDE9A modulators | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-07 | — | — | US | disclosed |
| US-8623901-B2 | Compounds for the treatment of CNS disorders | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-07 | — | — | US | disclosed |
| WO-2009121919-A1 | 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-08 | — | — | WO | disclosed |
| US-20090143617-A1 | METHOD FOR PREPARING (E3, Z5) -3,5-ALKADIENYL ACETATE | SHIN-ETSU CHEMICAL CO. LTD. | 2009-06-04 | — | — | US | disclosed |
| EP-0807617-B1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | KYOWA YUKA KK (JP) | 2003-04-02 | — | — | EP | disclosed |
| EP-0807617-B1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | KYOWA YUKA KK (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6072089-A | REACTING 2-BUTENAL DERIVATIVE WITH FORMALDEHYDE, HYDROGENATING MIXTURE OF PRODUCTS WITHOUT SEPARATING | KYOWA YUKA CO., LTD. (JP) | 2000-06-06 | — | — | US | disclosed |
| EP-0807617-A4 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | KYOWA YUKA KK (JP) | 1999-10-13 | — | — | EP | disclosed |
| CN-1174544-A | Process for preparing 1, 5 -pentanediol derivative | KYOWA YUKA KK (JP) | 1998-02-25 | — | — | CN | disclosed |
| EP-0807617-A1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | Kyowa Yuka Co., Ltd. (JP) | 1997-11-19 | — | — | EP | disclosed |
| WO-1997019904-A1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | KYOWA YUKA CO., LTD. (JP) | 1997-06-05 | — | — | WO | disclosed |