SCHEMBL543718

SCHEMBL543718

CCC(C)(O)CC(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
SCHEMBL11890325 1.00
SCHEMBL11890303 1.00
Acetaldehyde SCHEMBL27379854 0.88 MMP8 (0.32)
SCHEMBL809181 0.84 TSHR (0.35)
Phosphine SCHEMBL27893440 0.81 TSHR (0.33)
SCHEMBL28119614 0.81 TSHR (0.33)
SCHEMBL1005408 0.80
SCHEMBL42225 0.79 ALDH1A1 (0.37)
SCHEMBL4426458 0.78 FDPS (0.32)
SCHEMBL6545577 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117696261-A Composite flotation reagent, composite collector and application thereof in flotation of refractory nickel sulfide ore 中南大学 2024-03-15 CN claimed
CN-106338894-A Ionic liquid nanolayer of laser printer rubber covered roller, rubber covered roller and preparation method thereof 深圳市乐普泰科技股份有限公司 2017-01-18 CN claimed
CN-104707366-A Antifoaming agent for delaying coking YINGKOU FENGGUANG CHEMICAL CO LTD 2015-06-17 CN claimed
WO-2007080103-A2 PROCESS FOR THE PREPARATION OF ALKYNEDIOLS DSM IP ASSETS B.V. (NL) 2007-07-19 WO claimed
EP-1808426-A1 Process for the preparation of alkynediols DSMIP Assets B.V. (NL) 2007-07-18 EP claimed
CN-1062301-C Perfume composition LION CORP (JP) 2001-02-21 CN claimed
CN-1169748-A Perfume composition LION CORP (JP) 1998-01-07 CN claimed
JP-8157862-A None JP disclosed
JP-59119346-A None JP disclosed
EP-4324814-B1 METHOD FOR PRODUCING DIMETHANOL COMPOUND HAVING NORBORNANE SKELETON MITSUBISHI GAS CHEMICAL CO (JP) 2025-12-24 EP disclosed
US-12390457-B2 Stable solutions of immunomodulatory imide compounds for parenteral use STARTON THERAPEUTICS, INC. (US) 2025-08-19 US disclosed
US-20250230374-A1 DUAL-USE COOLANT AND LUBRICANT CUMMINS INC. (US) 2025-07-17 US disclosed
WO-2025068976-A1 COMPOSITIONS COMPRISING INSULIN AGONISTS, AND SAID COMPOSITIONS FOR USE IN THE TREATMENT OF DIABETES OR OBESITY BIOTTS INC. (PL) 2025-04-03 WO disclosed
US-4764367-A Use of C8 -t-alkanols and C5 -C11 -omega-alken-1-ols in attracting insects INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-08-16 US disclosed
US-4748283-A POLYMERIZATION CATALYSTS LITHIUM CORPORATION OF AMERICA (US) 1988-05-31 US disclosed
EP-0242801-A2 Hydrocarbyloxy magnesium halides LITHIUM CORPORATION OF AMERICA (US) 1987-10-28 EP disclosed
JP-S59119346-A MANUFACTURE OF PHOTOSENSITIVE MATERIAL DAICEL CHEM IND LTD 1984-07-10 JP disclosed
EP-0069461-A1 Process for purifying propylene polymers TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1983-01-12 EP disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 US disclosed
US-4026845-A CURING, FLUORINATED SURFACTANTS DOW CORNING CORPORATION (US) 1977-05-31 US disclosed