SCHEMBL7197516

SCHEMBL7197516

C[N+](C)=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ G6PD P11413 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHAT P28329 2/20 0.37
▸ FBP1 P09467 2/20 0.37
▸ RELA Q04206 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ GLA P06280 1/20 0.36

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
Hydrochloric Acid SCHEMBL5256199 0.97 ALDH1A1 (0.39) ALDH1A1TSHRMAOBCYP2A6G6PD
SCHEMBL22575907 0.78 G6PD (0.47) ALDH1A1TSHRG6PDPOLBGAA
SCHEMBL10448311 0.78 G6PD (0.47) ALDH1A1TSHRG6PDPOLBGAA
SCHEMBL17689681 0.78 TDP1 (0.41) ALDH1A1TSHRMAOBCYP2A6G6PD
SCHEMBL1404289 0.78 G6PD (0.47) ALDH1A1TSHRG6PDPOLBGAA
SCHEMBL27493057 0.74 CYP2A6 (0.48) ALDH1A1CYP2A6POLBTDP1L3MBTL1
SCHEMBL17083888 0.74 TDP1 (0.43) ALDH1A1TSHRMAOBCYP2A6G6PD
SCHEMBL14633792 0.74 TDP1 (0.43) ALDH1A1TSHRMAOBCYP2A6G6PD
SCHEMBL22728584 0.74 RELA (0.36) ALDH1A1TSHRMAOBCYP2A6G6PD
SCHEMBL27559085 0.72 TP53 (0.56) ALDH1A1TSHRMAOBTDP1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11982395-B2 Insulated pipe containing polyurethane foam which is foamed by an environmentally friendly foaming agent and has a low degree of brittleness BASF SE (DE) 2024-05-14 — — US disclosed
EP-3947501-B1 INSULATED PIPE, COMPRISING AN ENVIRONMENTALLY-FRIENDLY PROPELLANT BLOWN POLYURETHANE FOAM WITH LOW FRIABILITY BASF SE (DE) 2023-07-12 — — EP disclosed
US-20220163162-A1 INSULATED PIPE CONTAINING POLYURETHANE FOAM WHICH IS FOAMED BY AN ENVIRONMENTALLY FRIENDLY FOAMING AGENT AND HAS A LOW DEGREE OF BRITTLENESS BASF SE (DE) 2022-05-26 — — US disclosed
CN-1247542-C Substituted pyrrole Mannich bases to treating paint and allergic reactions GREENTHAL GMBH (DE) 2006-03-29 — — CN disclosed
US-6584671-B2 Simple, low cost manufacturing of strong, weather resistant assembly THYSSEN TRANSRAPID SYSTEM GMBH (DE) 2003-07-01 — — US disclosed
CN-1414950-A Substituted pyrrole mannich bases for the treatment of pain and hypersensitivity reactions GREENTHAL GMBH (DE) 2003-04-30 — — CN disclosed
CN-1413185-A Substitued 1 and 2 naphthol mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 — — CN disclosed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 — — CN disclosed
EP-1253917-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-11-06 — — EP disclosed
WO-2001047506-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2001-07-05 — — WO disclosed
US-20010002507-A1 PROCESS FOR PRODUCING AN ELECTROMAGNETIC SUBASSEMBLY FOR A MAGNETIC LEVITATION RAILWAY THYSSEN TRANSRAPID SYSTEM GMBH (DE) 2001-06-07 — — US disclosed
US-4933265-A NUCLEATION PROMOTER FUJI PHOTO FILM CO., LTD. (JP) 1990-06-12 — — US disclosed
US-4073767-A Hydrogen phosphonates and polymers containing them as flame retardants MONSANTO COMPANY (US) 1978-02-14 — — US disclosed
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