SCHEMBL2049461

SCHEMBL2049461

CC(C)(C)CO[N]

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
SCHEMBL8029850 0.67 CYP2C19 (0.42)
SCHEMBL18191 0.67 CYP2C19 (0.42)
SCHEMBL3317451 0.65
SCHEMBL2049217 0.65
Hydrochloric Acid SCHEMBL8858515 0.64 CYP2C19 (0.40)
SCHEMBL90415 0.64
Acetonitrile SCHEMBL1926266 0.62 CYP2C19 (0.33)
Methyl Alcohol SCHEMBL4271767 0.61 CYP2C19 (0.38)
Ethylene SCHEMBL4765785 0.61 CYP2C19 (0.38)
SCHEMBL7672181 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117205-A1 BICYCLIC PYRIDINE DERIVATIVE AND SALT THEREOF, AND HARMFUL ORGANISM CONTROL AGENT CHARACTERIZED BY CONTAINING SAID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 北興化学工業株式会社 2024-06-06 WO disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-5633268-A FUNGICIDES, INSECTICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-27 US disclosed
EP-0686152-B1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AG (DE) 1997-05-02 EP disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0757042-A1 Ortho-substituted 2-methoxyiminophenylaceticacid methylester BASF Aktiengesellschaft (DE) 1997-02-05 EP disclosed
EP-0668852-A1 SUBSTITUTED ORTHO-ETHENYL-PHENYL ACETIC ACID DERIVATIVES BASF Aktiengesellschaft (DE) 1995-08-30 EP disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
WO-1994019331-A1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 1994-09-01 WO disclosed
WO-1994011334-A1 SUBSTITUTED ORTHO-ETHENYL-PHENYL ACETIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed