SCHEMBL10837620

SCHEMBL10837620

CCCCC=C(C)CCC=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.53
KMT2A Q03164 2/20 0.43
FAAH O00519 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
SQLE Q14534 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
UGT1A1 P22309 1/20 0.39

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
SCHEMBL10837616 1.00 TSHR (0.54) TSHRHPGDKMT2AFAAHALDH1A1
SCHEMBL2417497 0.92 TSHR (0.58) TSHRHPGDKMT2AFAAHTRPV1
SCHEMBL2411571 0.92 TSHR (0.58) TSHRHPGDKMT2AFAAHTRPV1
SCHEMBL2411575 0.92 TSHR (0.58) TSHRHPGDKMT2AFAAHTRPV1
SCHEMBL28901846 0.89 TSHR (0.58) TSHRHPGDKMT2AFAAHALDH1A1
SCHEMBL27585642 0.86 HPGD (0.57) TSHRHPGDKMT2AALDH1A1SQLE
SCHEMBL19734639 0.83 TSHR (0.48) TSHRHPGDKMT2AFAAHALDH1A1
SCHEMBL7455271 0.82 TSHR (0.61) TSHRHPGDKMT2AFAAHTRPV1
SCHEMBL7455269 0.82 TSHR (0.61) TSHRHPGDKMT2AFAAHTRPV1
SCHEMBL9157286 0.81 KMT2A (0.64) HPGDKMT2AALDH1A1SQLEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
CN-117677381-A Fragrance composition 科蒂公司 2024-03-08 CN disclosed
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN disclosed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN disclosed
CN-114269888-A Fragrance enhancing compositions 阿尔门德拉私人有限公司 2022-04-01 CN disclosed
CN-109568166-B Fragrance materials 宝洁公司 2022-01-28 CN disclosed
EP-3310888-A1 PERFUME COMPOSITIONS The Procter and Gamble Company (US) 2018-04-25 EP disclosed
WO-2016209863-A1 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-12-29 WO disclosed
US-4605793-A REACTING ALPHA OR BETA PINENE WITH CARBON MONOXIDE AND HYDROGEN; REACTING ALDEHYDE FORMED WITH METHYL ETHYL KETONE; REDUCTION INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1986-08-12 US disclosed
US-4591451-A Methyl substituted pinyl oxopentenes and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1986-05-27 US disclosed
US-4549971-A Methyl substituted pinyl oxopentenes, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-10-29 US disclosed
US-4533491-A Organoleptic use of methyl substituted pinyl oxopentenes INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-08-06 US disclosed
US-4510340-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-04-09 US disclosed
US-4506104-A FERFUMES; FLAVORS, FOODS INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-03-19 US disclosed
US-4424378-A Methyl substituted pinyl oxopentenes, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-01-03 US disclosed