SCHEMBL54719

SCHEMBL54719

c1ccc(P(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 2/20 0.34
SLC18A3 Q16572 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 3/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 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
SCHEMBL301161 1.00 ROCK2 (0.44) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL301129 1.00 ROCK2 (0.44) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL28530861 0.98 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL9634618 0.98 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL9516193 0.98 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
Bromide SCHEMBL8849424 0.98 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL2271458 0.98 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL30727801 0.98 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL301274 0.98 ROCK2 (0.41) ROCK2CYP3A4TDP1IDO1SLC18A3
Hydrochloric Acid SCHEMBL8160503 0.96 ROCK2 (0.42) ROCK2CYP3A4TDP1IDO1SLC18A3

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 2458 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624005-B2 Synthesis of 4-amino-6-(heterocyclic)picolinates CORTEVA AGRISCIENCE LLC (US) 2026-05-12 US claimed
EP-4585268-A2 SOLID FORMS OF ISOQUINOLINONE DERIVATIVES, PROCESS OF MAKING, COMPOSITIONS COMPRISING, AND METHODS OF USING THE SAME Twelve Therapeutics, Inc. (US) 2025-07-16 EP claimed
WO-2025131831-A1 PROCESS FOR THE HYDROFORMYLATION OF AN ALIPHATIC ALKENE UNIVERSITÉ DE STRASBOURG (FR) 2025-06-26 WO claimed
EP-4574808-A1 PROCESS FOR THE HYDROFORMYLATION OF AN ALIPHATIC ALKENE Université de Strasbourg (FR) 2025-06-25 EP claimed
CN-120192223-A Method for preparing beta, gamma unsaturated ester compound by vinyl cyclopropane ring opening 常州大学 2025-06-24 CN claimed
CN-120192218-A Ring-opening hydroformylation reaction of benzylidene cyclopropane with formic acid as carbonyl source 常州大学 2025-06-24 CN claimed
CN-111212843-B Boric acid derivatives and synthesis thereof QPEX生物制药有限公司 2025-05-16 CN claimed
CN-119930491-A Synthesis method of polysubstituted pyrrolidone 北京化工大学 2025-05-06 CN claimed
CN-119751455-A Synthesis method of pyrrolo-tetrahydroquinoline compound containing perfluoroalkyl structure 常州大学 2025-04-04 CN claimed
CN-119661532-A Synthetic method of multi-element indolo ring compound 常州大学 2025-03-21 CN claimed
US-4933497-A Preparation of hydroxybenzaldehydes by hydrocarbonylation of halophenols RHONE-POULENC CHIMIE (FR) 1990-06-12 US claimed
EP-0365382-A1 Aminocarbonylation process RHONE-POULENC CHIMIE (FR) 1990-04-25 EP claimed
EP-0365383-A1 Method of hydroxycarbonylation RHONE-POULENC CHIMIE (FR) 1990-04-25 EP claimed
EP-0352164-A1 Hydrogenolysis method RHONE-POULENC CHIMIE (FR) 1990-01-24 EP claimed
EP-0352167-A1 Process for the alcoxy carbonylation of halogenated aromatic derivatives RHONE-POULENC CHIMIE (FR) 1990-01-24 EP claimed
EP-0351336-A1 Process for the preparation of hydroxybenzaldehydes by hydrocarbonylation RHONE-POULENC CHIMIE (FR) 1990-01-17 EP claimed
EP-0028378-B1 IMPROVED HYDROFORMYLATION PROCESS USING STABLE RHODIUM CATALYST UNION CARBIDE CORPORATION (US) 1985-01-09 EP claimed
US-4482640-A NICKEL COMPOUND, PHOSPHINE, CARBOXYLIC ACID AS CATALYST PHILLIPS PETROLEUM COMPANY (US) 1984-11-13 US claimed
US-4283562-A COMPLEXED WITH CARBON MONOXIDE AND A PHENYL PHOSPHINE UNION CARBIDE CORPORATION (US) 1981-08-11 US claimed
EP-0028378-A1 Improved hydroformylation process using stable rhodium catalyst UNION CARBIDE CORPORATION (US) 1981-05-13 EP claimed