SCHEMBL664028

SCHEMBL664028

CC(C)c1cc(C(C)C)c(-c2ccccc2P)c(C(C)C)c1.CC(Cl)CCCCCl

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL366622 0.82 GABRA1 (0.37)
SCHEMBL28429641 0.79
Cyclohexane SCHEMBL664618 0.78 ROCK2 (0.42)
SCHEMBL17273033 0.76 MEN1 (0.36)
SCHEMBL1986951 0.75 RXRA (0.30)
SCHEMBL21989736 0.73 FABP4 (0.46)
SCHEMBL21526429 0.73 NSD2 (0.32)
Biphenyl SCHEMBL29080056 0.71 ROCK2 (0.45)
SCHEMBL26089291 0.71 APP (0.39)
SCHEMBL30317598 0.68 ROCK2 (0.39)

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12232419-B2 Compound, and organic electroluminescence device and electronic apparatus using the same IDEMITSU KOSAN CO., LTD. (JP) 2025-02-18 US disclosed
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
EP-2863909-B1 COMBINATIONS COMPRISING 4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOXALINE COMPOUNDS AS PDE 2 INHIBITORS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-11-04 EP disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 2020-03-31 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
US-20150366873-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
EP-2863909-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL- [1,2,4]TRIAZOLO [4,3-A]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS Janssen Pharmaceutica N.V. (BE) 2015-04-29 EP disclosed
WO-2014175621-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2014-10-30 WO disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 US disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
EP-2723744-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-04-30 EP disclosed
WO-2014001314-A1 COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL- [1,2,4] TRIAZOLO [4,3-A] QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2014-01-03 WO disclosed
WO-2013000924-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-01-03 WO disclosed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed