SCHEMBL2441790

SCHEMBL2441790

CC(CN)CC=O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16297573 1.00
SCHEMBL19741477 0.81 ALDH1A1 (0.38)
SCHEMBL159060 0.81
SCHEMBL5592146 0.78
SCHEMBL9070483 0.78
SCHEMBL537197 0.77
Hydrochloric Acid SCHEMBL9339671 0.73
Hydrochloric Acid SCHEMBL4863550 0.73
SCHEMBL263198 0.73
SCHEMBL9572861 0.73

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 US disclosed
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 US disclosed
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-05 US disclosed
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-03-16 US disclosed
EP-2753617-B9 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-9539252-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
EP-2753617-B1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-9260420-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-20150045356-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-02-12 US disclosed
CN-103781783-A Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMA CO LTD 2014-05-07 CN disclosed
CN-103003233-A Novel hydroxamic acid derivative TAISHO PHARMACEUTICAL CO LTD 2013-03-27 CN disclosed
WO-2013035892-A1 PIPERAZINE- SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-14 WO disclosed
WO-2012061165-A2 METHODS AND COMPOSITIONS FOR IMPROVING ADMET PROPERTIES LU XIANDAN SHARON (US) 2012-05-10 WO disclosed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
EP-1048669-A1 CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed