SCHEMBL4579577

SCHEMBL4579577

CCCCC(CCC)CC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 5/20 0.43
CYP3A4 P08684 4/20 0.43
CA2 P00918 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.34
DNM1 Q05193 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL32675976 0.95 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4652951 0.90 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4268916 0.88 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4277880 0.88 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL322491 0.88 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL32675968 0.85 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4270749 0.85 ALDH1A1 (0.37) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL4655215 0.85 TSHR (0.39) TSHRCA2
SCHEMBL14618760 0.85 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL1645666 0.85 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080008666-A1 Breath Test for Oral Malodor PHILLIPS MICHAEL 2008-01-10 US claimed
WO-2005089310-A2 BREATH TEST FOR ORAL MALODOR PHILLIPS, MICHAEL (US) 2005-09-29 WO claimed
CN-120648508-A Biological blended fuel 常德坤亿新能源科技有限公司 2025-09-16 CN disclosed
CN-114249466-A Electrocatalytic oxidation combined forward osmosis treatment method for reverse osmosis concentrated water in coal chemical industry 哈尔滨工业大学 2022-03-29 CN disclosed
CN-214715682-U Device for purifying a gas flow 恩特格里斯公司 2021-11-16 CN disclosed
CN-111346505-A Active wet type washing and filtering system 恩特格里斯公司 2020-06-30 CN disclosed
CN-105062902-B A kind of acidproof production fragrance saccharomyces boulardii and its application 河南工业大学 2017-10-24 CN disclosed
CN-105062902-A Acidproof fragrance-generating saccharomyces boulardii and application thereof UNIV HENAN TECHNOLOGY 2015-11-18 CN disclosed
CN-103149294-B Based on the apple label organism migration assay method of GC-MS SHANGHAI JINSHAN DISTRICT YOUTH ACTIVITY CENTER (CN) 2015-08-05 CN disclosed
US-20080257159-A1 Air handling and chemical filtration system and method ENTEGRIS, INC. (US) 2008-10-23 US disclosed
US-20080009099-A1 System and method of monitoring contamination ENTEGRIS, INC. 2008-01-10 US disclosed
US-20080008666-A1 Breath Test for Oral Malodor PHILLIPS MICHAEL 2008-01-10 US disclosed
CN-1289171-C System and method for monitoring contamination EXTRACTION SYSTEMS INC (US) 2006-12-13 CN disclosed
WO-2005089310-A2 BREATH TEST FOR ORAL MALODOR PHILLIPS, MICHAEL (US) 2005-09-29 WO disclosed
CN-1575194-A System and method for monitoring contamination EXTRACTION SYSTEMS INC (US) 2005-02-02 CN disclosed
US-6759254-B2 System and method for determining and controlling contamination EXTRACTION SYSTEMS, INC. 2004-07-06 US disclosed