SCHEMBL35

SCHEMBL35

[c]1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL597746 1.00 CYP2A6 (0.39) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL20526418 0.97 CYP2A6 (0.37) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL20873650 0.97 CYP2A6 (0.37) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL15969806 0.97 CYP2A6 (0.37) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL29094877 0.97 CYP2A6 (0.37) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL6409528 0.97 CYP2A6 (0.37) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL28834554 0.95 CYP2A6 (0.35) CYP2A6ALOX12
SCHEMBL21253156 0.95 CYP2A6 (0.35) CYP2A6ALOX12
SCHEMBL28350926 0.92 CYP2A6 (0.33) CYP2A6ALOX12
SCHEMBL29105538 0.90 CYP2A6 (0.32) CYP2A6ALOX12

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

Appears in 802334 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432995-B1 None US claimed
US-6362369-B1 None US claimed
US-6410577-B1 None US claimed
US-9975777-B2 Segmented graphene nanoribbons BASF SE (DE) 2018-05-22 US claimed
US-9978948-B2 Ink composition, organic electroluminescence element, and electronic apparatus JOLED INC. (JP) 2018-05-22 US claimed
US-9974761-B2 Medications for deposition on biological surfaces THE PROCTER & GAMBLE COMPANY (US) 2018-05-22 US claimed
US-9978473-B2 Doping methods for hole injection and transport layers NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US claimed
US-9975995-B2 Ion conducting polymer comprising partially branched block copolymer and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-05-22 US claimed
US-20180133180-A1 RECEPTOR SUBTYPE AND FUNCTION SELECTIVE RETINOID AND REXINOID COMPOUNDS IN COMBINATION WITH IMMUNE MODULATORS FOR CANCER IMMUNOTHERAPY Io Therapeutics, Inc. 2018-05-17 US claimed
US-20180138417-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2018-05-17 US claimed
US-3935198-A BY HEATING THE PENICILLIN SULFOXIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 US claimed
US-3935186-A Intermediates for producing semi-synthetic penicillins and cephalosporins and methods of production AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-27 US claimed
US-3935265-A ALUMINA CATALYST STANDARD OIL COMPANY (US) 1976-01-27 US claimed
US-3935154-A Block copolyesters of polysiloxanes EASTMAN KODAK COMPANY (US) 1976-01-27 US claimed
US-3933785-A Azo compounds CIBA-GEIGY AG (CH) 1976-01-20 US claimed
US-3934002-A BIS-GUANIDE THE PROCTER & GAMBLE COMPANY (US) 1976-01-20 US claimed
US-3933797-A 6-[α-(ω-QUANIDINOALKANOYLAMIDO)ACYLAMIDO]PENICILLANIC ACIDS PFIZER INC. (US) 1976-01-20 US claimed
US-3932378-A Sulfonated disazo dyestuffs containing an ether group CIBA-GEIGY AG (CH) 1976-01-13 US claimed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 US claimed
US-3931165-A INSECTICIDES, HERBICIDES BARER SOL J 1976-01-06 US claimed