SCHEMBL671923

SCHEMBL671923

CCCCCCC(C)C(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 2/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
SMPD1 P17405 3/20 0.39
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
FDPS P14324 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1028502 0.97 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL31207037 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL38656174 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL14911157 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL15238771 0.89 DNM1 (0.39) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL23945469 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL18169171 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL9207279 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL9181091 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL402299 0.89 OPRM1 (0.50) OPRM1SPHK1LMNATSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240230571-A1 VOLATILE COMPOUND SOURCE LOCATING SYSTEMS US DEPARTMENT OF ENERGY 2024-07-11 US claimed
US-9551712-B2 Volatile organic compounds as diagnostic markers for various types of cancer TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2017-01-24 US claimed
WO-2013006000-A2 METHOD FOR DETECTING BREAST CANCER USING RESPIRATORY GAS 주식회사 알앤엘내츄럴 (KR) 2013-01-10 WO claimed
US-20120326092-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-12-27 US claimed
WO-2011083473-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-07-14 WO claimed
CN-122030497-A Fermentation method for cooperatively treating ganoderma lucidum by bacterial enzymes and application of fermentation method in pet food 杭州半边野兽科技有限公司 2026-05-15 CN disclosed
US-20250375123-A1 ANALYSIS OF GAS SAMPLES FOR DETERMINATION OF PHYSIOLOGICAL STATES AND DISEASE STATES UNIV NEW YORK (US) 2025-12-11 US disclosed
US-12247174-B2 Wax and lube base stock products using shape selective membrane separation Exxon Mobil Technology and Engineering Company (US) 2025-03-11 US disclosed
US-20240426722-A1 Instant Non-Invasive High-Throughput Disease Screening POSTREL RICHARD (US) 2024-12-26 US disclosed
US-20240345021-A1 Handheld Device for Early Detection of Disease, Biological, Chemical, and Pathogenic Agents POSTREL RICHARD (US) 2024-10-17 US disclosed
US-20240210389-A1 THREE-DIMENSIONAL PERCOLATION ARRAY STRUCTURE AS A GAS SENSOR U.S. DEPARTMENT OF ENERGY 2024-06-27 US disclosed
US-11988660-B2 Rapid screening for infectious diseases VOC HEALTH, INC. 2024-05-21 US disclosed
EP-2940472-A1 CANCER DIAGNOSIS METHOD USING RESPIRATORY GAS Ra, Jeong Chan (KR) 2015-11-04 EP disclosed
CN-104919317-A CANCER DIAGNOSIS METHOD USING RESPIRATORY GAS STEM CELLS CORP K 2015-09-16 CN disclosed
WO-2014104649-A1 CANCER DIAGNOSIS METHOD USING RESPIRATORY GAS 주식회사 알앤엘바이오 (KR) 2014-07-03 WO disclosed
US-20130143247-A1 VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-06-06 US disclosed
WO-2013006000-A2 METHOD FOR DETECTING BREAST CANCER USING RESPIRATORY GAS 주식회사 알앤엘내츄럴 (KR) 2013-01-10 WO disclosed
US-20120326092-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-12-27 US disclosed
WO-2012023138-A2 VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-23 WO disclosed
WO-2011083473-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-07-14 WO disclosed