SCHEMBL10045683

SCHEMBL10045683

CC(C)C1OC(C)C(C)O1

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
SCHEMBL11411161 0.81
SCHEMBL11841010 0.81
SCHEMBL10045686 0.73
SCHEMBL10742141 0.73
SCHEMBL14586434 0.71
SCHEMBL6752631 0.71
SCHEMBL183086 0.71
SCHEMBL10186511 0.71
SCHEMBL1711523 0.71 LMNA (0.50)
SCHEMBL334764 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780787-B2 Method for conversion of diols to olefin products UT-BATTELLE, LLC (US) 2023-10-10 US disclosed
US-11780787-B2 Method for conversion of diols to olefin products UT-BATTELLE, LLC (US) 2023-10-10 US disclosed
US-20230242464-A1 METHOD FOR CONVERSION OF DIOLS TO OLEFIN PRODUCTS UT BATTELLE LLC (US) 2023-08-03 US disclosed
US-20230242464-A1 METHOD FOR CONVERSION OF DIOLS TO OLEFIN PRODUCTS UT BATTELLE LLC (US) 2023-08-03 US disclosed
CN-112110809-B Bio-based antioxidant, preparation method and application thereof 清华大学 2022-02-08 CN disclosed
CN-112110809-A Bio-based antioxidant, preparation method and application thereof 清华大学 2020-12-22 CN disclosed
US-8114813-B2 Heat transferrable dye in resin containing polyvinyl acetal modified with ketone FUJIFILM CORPORATION (JP) 2012-02-14 US disclosed
US-7547808-B2 Process for producing aldehyde with 2-position branched long-chain alkyl IDEMITSU KOSAN CO., LTD. (JP) 2009-06-16 US disclosed
US-20090076311-A1 PROCESS FOR PRODUCING ALDEHYDE WITH 2-POSITION BRANCHED LONG-CHAIN ALKYL IDEMITSU KOSAN CO., LTD. (JP) 2009-03-19 US disclosed
US-20080242540-A1 THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed