SCHEMBL131152

SCHEMBL131152

CC[CH]C(=O)OC(C)C

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
SCHEMBL11207248 0.83
SCHEMBL127506 0.81 HCAR2 (0.45)
SCHEMBL5209514 0.81 MAPT (0.33)
SCHEMBL11207271 0.81
SCHEMBL27563649 0.80
SCHEMBL4847369 0.79 HCAR2 (0.30)
SCHEMBL131801 0.78 HCAR2 (0.46)
SCHEMBL2412135 0.78
SCHEMBL128928 0.78 LMNA (0.47)
SCHEMBL8895865 0.78 CHRNB2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US claimed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed
US-20180206495-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
US-20180206498-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
US-20180206491-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
US-5696056-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES; POTENTIATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed
EP-0786453-A1 Novel phthalimide compounds and herbicides containing the same Mitsubishi Chemical Corporation (JP) 1997-07-30 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH &amp; CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
EP-0361255-B1 LIQUID-CRYSTAL MIXTURES CONTAINING AZULENE SQUARE ACID DYE BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
US-5084592-A Dyes for optical recording media BASF AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
US-5071588-A Solubility; dichromism; ensures optimal absorption of wiring laser BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0361255-A1 Liquid-crystal mixtures containing azulene square acid dye BASF Aktiengesellschaft (DE) 1990-04-04 EP disclosed
EP-0310080-A2 Azulene-squarillic dyes, azulenes as their intermediary products, and optical recording medium BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed