SCHEMBL1171603

SCHEMBL1171603

[CH2]C(C)CC(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.57
▸ TAAR1 Q96RJ0 4/20 0.54
▸ AOC3 Q16853 2/20 0.48
▸ RIPK1 Q13546 1/20 0.47
▸ HRH1 P35367 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL3672929 0.85 TRPA1 (0.67) TRPA1TAAR1AOC3RIPK1HRH1
SCHEMBL9325717 0.84 TRPA1 (0.55) TRPA1TAAR1AOC3RIPK1HRH1
SCHEMBL7737298 0.83 HRH1 (0.50) TRPA1TAAR1HRH1CACNA1FCHRM2
SCHEMBL9233371 0.82 TAAR1 (0.56) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL9172184 0.82 TRPA1 (0.59) TRPA1TAAR1AOC3RIPK1CHRM2
SCHEMBL19664358 0.81 TAAR1 (0.43) TRPA1TAAR1AOC3RIPK1HRH1
SCHEMBL9579271 0.80 TRPA1 (0.61) TRPA1TAAR1AOC3RIPK1HRH1
SCHEMBL508412 0.80 TRPA1 (0.61) TRPA1TAAR1AOC3RIPK1HRH1
SCHEMBL3864354 0.80 TRPA1 (0.61) TRPA1TAAR1AOC3RIPK1HRH1
SCHEMBL17038679 0.78 TRPA1 (0.59) TRPA1TAAR1AOC3RIPK1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 — — WO claimed
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 — — EP claimed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 — — EP claimed
US-6177389-B1 Detergent compositions comprising orthocarbonate pro-fragrances THE PROCTER & GAMBLE COMPANY 2001-01-23 — — US claimed
US-6114302-A STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-05 — — US claimed
US-6087322-A Fragrance pro-accords THE PROCTER & GAMBLE COMPANY (US) 2000-07-11 — — US claimed
US-6077821-A FOR USE IN DELIVERING SUSTAINED RELEASE OR ENHANCED LONGEVITY FRAGRANCES TO A VARIETY OF PERSONAL CARE AND PERSONAL HYGIENE PRODUCTS INTER ALIA DEODORANTS, BODY LOTIONS OR CREAMS, AND SHAMPOOS THE PROCTER & GAMBLE COMPANY (US) 2000-06-20 — — US claimed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 — — EP claimed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 — — US claimed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 — — US claimed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 — — WO claimed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 — — EP disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 — — EP disclosed
EP-2358859-B1 SCENTED WASHING OR CLEANING AGENT HENKEL AG & CO KGAA (DE) 2016-07-06 — — EP disclosed
WO-2016005149-A1 LOW-ODOR POLYURETHANE SYSTEMS EVONIK DEGUSSA GMBH (DE) 2016-01-14 — — WO disclosed
WO-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 — — WO disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 — — WO disclosed
WO-1998047995-A1 ORTHOCARBONATE PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 — — WO disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 — — WO disclosed
WO-1998006803-A1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS THE PROCTER & GAMBLE COMPANY (US) 1998-02-19 — — WO disclosed
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