SCHEMBL2900719

SCHEMBL2900719

OC#CCCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MTNR1A P48039 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.46
ACP3 P15309 1/20 0.44
NQO2 P16083 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL27450399 0.81 CYP1A2 (0.47) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL3990701 0.80 MTNR1A (0.45) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL3991528 0.77 HTR1B (0.44) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL3047898 0.77 CYP1A2 (0.62) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL28097582 0.77 CYP1A2 (0.48) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL1306449 0.77 CYP1A2 (0.48) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL1823898 0.77 CYP1A2 (0.48) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL143457 0.77 MTNR1A (0.49) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL28999495 0.74 MTNR1A (0.46) CYP1A2CYP2C19CYP2D6MTNR1ATDP1
SCHEMBL27550 0.74 CYP1A2 (0.54) CYP1A2CYP2C19CYP2D6MTNR1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192130-B1 CORROSION INHIBITOR COMPOSITION HENKEL CORPORATION (a Delaware corp.) (US) 1990-06-27 EP claimed
US-10059872-B2 Corrosion inhibitor compositions for acidizing treatments LONZA INC. (US) 2018-08-28 US disclosed
EP-3237573-A1 CORROSION INHIBITOR COMPOSITIONS FOR ACIDIZING TREATMENTS Lonza Inc. (US) 2017-11-01 EP disclosed
CN-107207954-A Corrosion inhibitor composition for acidification 伦萨公司 2017-09-26 CN disclosed
WO-2016105996-A1 CORROSION INHIBITOR COMPOSITIONS FOR ACIDIZING TREATMENTS LONZA INC. (US) 2016-06-30 WO disclosed
US-20160177170-A1 Corrosion Inhibitor Compositions For Acidizing Treatments Arxada, LLC 2016-06-23 US disclosed
US-7842127-B2 Corrosion inhibitor composition comprising a built-in intensifier NALCO COMPANY (US) 2010-11-30 US disclosed
WO-2008077005-A1 CORROSION INHIBITOR COMPOSITION COMPRISING A BUILT-IN INTENSIFIER NALCO COMPANY (US) 2008-06-26 WO disclosed
US-20080146464-A1 CORROSION INHIBITOR COMPOSITION COMPRISING A BUILT-IN INTENSIFIER APERGY BMCS ACQUISITION CORP 2008-06-19 US disclosed
EP-0192130-B1 CORROSION INHIBITOR COMPOSITION HENKEL CORPORATION (a Delaware corp.) (US) 1990-06-27 EP disclosed
EP-0192130-A2 Corrosion inhibitor composition HENKEL CORPORATION (a Delaware corp.) (US) 1986-08-27 EP disclosed