SCHEMBL1031677

SCHEMBL1031677

C[C@@H](C(=O)O)C(F)(F)F

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
SCHEMBL1032404 1.00
SCHEMBL1668872 1.00
Oxalic Acid SCHEMBL28769368 0.94 TP53 (0.38)
Oxalic Acid SCHEMBL5014684 0.83 TP53 (0.31)
SCHEMBL26451537 0.79
SCHEMBL28221607 0.79
SCHEMBL17282668 0.79
SCHEMBL12856284 0.78 TP53 (0.35)
SCHEMBL760396 0.78 TP53 (0.30)
SCHEMBL1766346 0.77 TP53 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4105216-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-12-21 EP disclosed
EP-3807261-B1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-07-13 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-11034658-B2 Pyridinyl pyrazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2021-06-15 US disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed
CN-112292373-A Pyridylpyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-01-29 CN disclosed
WO-2019244002-A1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-1809598-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
EP-1807392-A1 6-AMINO(AZA)INDANE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECPTOR Abbott GmbH & Co. KG (DE) 2007-07-18 EP disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2006040178-A9 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2007-04-19 WO disclosed
WO-2006040177-A1 6-AMINO(AZA)INDANE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 WO disclosed
WO-2006040180-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040176-A1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040178-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 WO disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed