SCHEMBL6180230

SCHEMBL6180230

C[CH]C(CC)C(=O)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
SCHEMBL6263847 0.79
SCHEMBL5076843 0.79
SCHEMBL5076842 0.79
SCHEMBL10928741 0.79
SCHEMBL15447441 0.79
SCHEMBL14533808 0.78
SCHEMBL26620 0.78
SCHEMBL10406063 0.78
SCHEMBL2017228 0.78
SCHEMBL8014935 0.76

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963922-B Aldehyde scavenger and method for removing aldehyde 东曹株式会社 2022-09-23 CN disclosed
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US disclosed
EP-3564334-A1 ALDEHYDE SCAVENGER AND ALDEHYDE REMOVAL METHOD Tosoh Corporation (JP) 2019-11-06 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
CN-109963922-A Aldehyde agent for capturing and aldehyde minimizing technology 东曹株式会社 2019-07-02 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
CN-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0939078-A2 Substituted phthalimido-cinnamic acid derivatives with herbicidal activity BASF AKTIENGESELLSCHAFT (DE) 1999-09-01 EP disclosed
US-5807807-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0788479-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed
WO-1996014298-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1996-05-17 WO disclosed
EP-0380643-A1 EVIDENCING OF THE CAPACITY OF A COMPOUND TO CAUSE A HEPATIC PEROXYSOMAL PROLIFERATION AGENCE REGIONALE DE DEVELOPPEMENTS TECHNOLOGIQUES - ARDT - (FR) 1990-08-08 EP disclosed
WO-1990000905-A1 EVIDENCING OF THE CAPACITY OF A COMPOUND TO CAUSE A HEPATIC PEROXYSOMAL PROLIFERATION AGENCE REGIONALE DE DEVELOPPEMENTS TECHNOLOGIQUES (FR) 1990-02-08 WO disclosed
US-4151268-A ASSAYING FOR 5-SUBSTITUTED-1,3-UNSUBSTITUTED BARBITURIC ACIDS BY COMPLEXING WITH GAMMA GLOBULIN FRACTION PROTEINS HOFFMANN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4107157-A Barbituric acid antigens and antibodies specific therefor HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed