SCHEMBL9756557

SCHEMBL9756557

S=P(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ CYP2A6 P11509 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP1A2 P05177 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ HPRT1 P00492 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MAOA P21397 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
SCHEMBL11461100 0.89 NPSR1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11417374 0.81 CYP1A2 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL10481898 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28559739 0.78 CYP1A2 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL22639281 0.78 NR1I2 (0.46) ALDH1A1CYP2A6HPGDKDM4ELMNA
SCHEMBL22639256 0.78 GAA (0.48) ALDH1A1HSD17B10CYP2A6CYP1A2KDM4E
SCHEMBL8933374 0.75 RAB9A (0.49) ALDH1A1HSD17B10TDP1CYP1A2HPGD
SCHEMBL1244976 0.75 KDM4E (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL9756438 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29380351 0.75 KDM4E (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 — — EP claimed
EP-0274795-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-21 — — EP claimed
US-4960926-A Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL OIL COMPANY (US) 1990-10-02 — — US claimed
EP-0274795-A2 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-20 — — EP claimed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 — — EP disclosed
EP-2481759-B1 ISO-OLEFIN POLYMER AND PREPARATION METHOD THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 — — EP disclosed
US-8937138-B2 Initiating system for cationic polymerization and polymerization process CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2015-01-20 — — US disclosed
US-8883943-B2 Isoolefin polymers and process for preparing the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2014-11-11 — — US disclosed
US-20120329973-A1 INITIATING SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION PROCESS BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2012-12-27 — — US disclosed
US-20120238715-A1 ISOOLEFIN POLYMERS AND PROCESS FOR PREPARING THE SAME CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2012-09-20 — — US disclosed
EP-2481759-A1 ISO-OLEFIN POLYMER AND PREPARATION METHOD THEREOF China Petroleum & Chemical Corporation (CN) 2012-08-01 — — EP disclosed
EP-2481760-A1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME China Petroleum & Chemical Corporation (CN) 2012-08-01 — — EP disclosed
EP-0274795-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-21 — — EP disclosed
US-4960926-A Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL OIL COMPANY (US) 1990-10-02 — — US disclosed
EP-0274795-A2 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-20 — — EP disclosed
US-4623522-A COMPLEXING AMERICAN CYANAMID COMPANY (US) 1986-11-18 — — US disclosed
EP-0113454-A2 Extraction of silver and palladium metals from aqueous solutions using tertiary phosphine sulfides AMERICAN CYANAMID COMPANY (US) 1984-07-18 — — EP disclosed
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