SCHEMBL930575

SCHEMBL930575

CC(C)(C)C1=CCC(C(C)(C)C)=C1C(C)(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
SCHEMBL7635325 0.73
SCHEMBL6192999 0.73
Carbon Monoxide SCHEMBL11396811 0.73 ALDH1A1 (0.30)
SCHEMBL12475483 0.71
SCHEMBL3124358 0.70
Hydrochloric Acid SCHEMBL1072729 0.70
SCHEMBL7751993 0.70
SCHEMBL9308339 0.63
SCHEMBL12556470 0.59
SCHEMBL25094171 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027586-A Composite, microporous membrane, ion exchange membrane, and preparation methods and applications thereof 国家电投集团氢能科技发展有限公司 2024-05-14 CN disclosed
US-20120145953-A1 LITHIUM PRECURSORS FOR LixMyOz MATERIALS FOR BATTERIES AMERICAN AIR LIQUIDE, INC. 2012-06-14 US disclosed
WO-2011002920-A2 LITHIUM PRECURSORS FOR LixMyOz MATERIALS FOR BATTERIES L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2011-01-06 WO disclosed
EP-1292556-B1 CATALYTIC DEHYDROXYLATION OF DIOLS AND POLYOLS DU PONT (US) 2004-01-07 EP disclosed
US-6555717-B2 Catalytic dehydroxylation of diols and polyols E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-29 US disclosed
US-20020077511-A1 Catalytic dehydroxylation of diols and polyols DEPARTMENT OF ENERGY, UNITED STATES 2002-06-20 US disclosed
US-6232516-B1 Process for cyclopentadiene substitution DSM N.V. (NL) 2001-05-15 US disclosed
US-5420320-A Method for preparing cyclopentadienyl-type ligands and metallocene compounds PHILLIPS PETROLEUM COMPANY (US) 1995-05-30 US disclosed
US-5144095-A Synthetic lubricants PENNZOIL PRODUCTS COMPANY (US) 1992-09-01 US disclosed