SCHEMBL4661861

SCHEMBL4661861

Cc1cc(C)c(-[n+]2cc[nH]c2)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.30

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
Bromide SCHEMBL12481603 0.96 — —
SCHEMBL17583797 0.93 — —
Hydrochloric Acid SCHEMBL28521740 0.78 CYP1A2 (0.31) —
Hydrochloric Acid SCHEMBL28408398 0.77 — —
Hydrochloric Acid SCHEMBL28766395 0.76 NOS3 (0.30) —
Hydrochloric Acid SCHEMBL27995882 0.73 ALDH1A1 (0.33) —
SCHEMBL28575906 0.69 RAPGEF4 (0.35) RAPGEF4
Hydrochloric Acid SCHEMBL28238911 0.67 ACHE (0.38) —
Hydrochloric Acid SCHEMBL15270825 0.65 CYP11B1 (0.30) —
Bromide SCHEMBL15271175 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137771-A1 METHOD FOR SYNTHESIZING α-ALKYL SUBSTITUTED INDOLE-3-CARBOXALDEHYDE COMPOUND 苏州大学 2023-07-27 — — WO disclosed
EP-4157912-A1 COMPOSITIONS CONTAINING URETDIONE GROUPS CROSSLINKING AT LOW TEMPERATURES Covestro Deutschland AG (DE) 2023-04-05 — — EP disclosed
EP-3997183-A1 METHOD FOR PRODUCING ISOCYANURATES FROM URETDIONES Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 — — EP disclosed
EP-3997141-A1 PROCESS OF PREPARING ALLOPHANATE- AND/OR THIOALLOPHANATE GROUP-CONTAINING COMPOUNDS Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 — — EP disclosed
CN-114478351-A Method for synthesizing alpha-alkyl substituted indole-3-formaldehyde compound 苏州大学 2022-05-13 — — CN disclosed
CN-114080409-A Process for preparing compounds containing allophanate and/or thioallophanate groups 科思创知识产权两合公司 2022-02-22 — — CN disclosed
WO-2021239678-A1 COMPOSITIONS CONTAINING URETDIONE GROUPS CROSSLINKING AT LOW TEMPERATURES COVESTRO DEUTSCHLAND AG (DE) 2021-12-02 — — WO disclosed
WO-2021085582-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME 富士フイルム株式会社 2021-05-06 — — WO disclosed
WO-2021004978-A1 METHOD FOR PRODUCING ISOCYANURATES FROM URETDIONES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 — — WO disclosed
WO-2021004980-A1 PROCESS OF PREPARING ALLOPHANATE- AND/OR THIOALLOPHANATE GROUP-CONTAINING COMPOUNDS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 — — WO disclosed
CN-112210288-A Polyurethane powder coating 科思创知识产权两合公司 2021-01-12 — — CN disclosed
EP-1778705-A4 PHOSPHONIUM IONIC LIQUIDS AS RECYCLABLE SOLVENTS FOR SOLUTION PHASE CHEMISTRY UNIV FRASER SIMON (CA) 2008-12-31 — — EP disclosed
EP-1778705-A1 PHOSPHONIUM IONIC LIQUIDS AS RECYCLABLE SOLVENTS FOR SOLUTION PHASE CHEMISTRY SIMON FRASER UNIVERSITY (CA) 2007-05-02 — — EP disclosed
WO-2006007703-A1 PHOSPHONIUM IONIC LIQUIDS AS RECYCLABLE SOLVENTS FOR SOLUTION PHASE CHEMISTRY SIMON FRASER UNIVERSITY (CA) 2006-01-26 — — WO disclosed
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