SCHEMBL2242689

SCHEMBL2242689

O=C/C=C/CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 19/20 0.52

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
SCHEMBL2242691 1.00 GPR52 (0.52) GPR52
SCHEMBL3920906 0.88 SIGMAR1 (0.47) GPR52
SCHEMBL3920904 0.88 SIGMAR1 (0.47) GPR52
SCHEMBL10454474 0.81 SIGMAR1 (0.41) GPR52
SCHEMBL10454343 0.81 FFAR1 (0.40) GPR52
SCHEMBL7762164 0.81 GPR52 (0.57) GPR52
SCHEMBL7762166 0.81 GPR52 (0.57) GPR52
SCHEMBL9715286 0.81 GPR52 (0.57) GPR52
SCHEMBL96946 0.81 GPR52 (0.50) GPR52
SCHEMBL96945 0.81 GPR52 (0.50) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097615-A ORGANOLEPTIC, AROMA AND TASTE ENHANCING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-27 US claimed
US-4064278-A FRUIT AND VEGETABLE FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064280-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4055691-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-25 US claimed
US-4053655-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4053654-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4044164-A BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-23 US claimed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US claimed
CN-104520279-B 1,3-benzothiazole-2 (3H)-one and as medicine and the application of cosmetics Dr August Wolff GmbH & Co.KG Arzneimittel (DE) 2016-11-30 CN disclosed
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
EP-2852581-B1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2016-05-04 EP disclosed
EP-2852581-B1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2016-05-04 EP disclosed
US-9199948-B2 1,3-benzoxazol-2(3H)-ones and their use as medicaments and cosmetics DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-12-01 US disclosed
US-9199948-B2 1,3-benzoxazol-2(3H)-ones and their use as medicaments and cosmetics DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-12-01 US disclosed
US-4036886-A FROM A PHENYL ALKENYL BROMIDE AND LITHIUM SALT OF A SCHIFF BASE OF ACETALDEHYDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-07-19 US disclosed
US-4031140-A FLAVORS, ODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US disclosed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US disclosed
US-3898283-A Novel chemical intermediates used in producing 4- and 5-phenyl-pentenals INT FLAVORS & FRAGRANCES INC 1975-08-05 US disclosed
US-3898283-A Novel chemical intermediates used in producing 4- and 5-phenyl-pentenals INT FLAVORS & FRAGRANCES INC 1975-08-05 US disclosed
US-3862340-A FLAVORING WITH 5-PHENYL PENTENALS INT FLAVORS & FRAGRANCES INC 1975-01-21 US disclosed