SCHEMBL28731633

SCHEMBL28731633

O=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 11/20 0.58
▸ RXRB P28702 10/20 0.58
▸ RXRG P48443 10/20 0.58
▸ PTPN1 P18031 2/20 0.45
▸ PLOD2 O00469 2/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ BACE2 Q9Y5Z0 1/20 0.43
▸ GSK3B P49841 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ PLOD3 O60568 1/20 0.40
▸ PLOD1 Q02809 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL31492946 0.88 RXRA (0.61) RXRARXRBRXRGPTPN1PLOD2
SCHEMBL8911336 0.84 CES2 (0.52) RXRARXRBRXRGPTPN1PLOD2
SCHEMBL31019373 0.84 PTPN1 (0.62) PTPN1PLOD2GSK3BMMP1PLOD3
SCHEMBL30989548 0.78 GSK3B (0.69) RXRARXRBRXRGPTPN1BACE1
SCHEMBL27250095 0.78 RXRA (0.65) RXRARXRBRXRGPTPN1BACE1
SCHEMBL5676017 0.76 PLOD2 (0.64) RXRARXRBRXRGPTPN1PLOD2
SCHEMBL4599899 0.76 PLOD2 (0.73) PTPN1PLOD2PLOD3PLOD1CES2
SCHEMBL8912052 0.76 PLOD2 (0.42) RXRARXRBRXRGPTPN1PLOD2
SCHEMBL8912078 0.75 CES2 (0.48) RXRARXRBRXRGPTPN1PLOD2
SCHEMBL10875483 0.75 PTPN1 (0.58) PTPN1PLOD2GSK3BMMP1PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405362-A2 COMPOUND, SEMICONDUCTOR LAYER COMPRISING COMPOUND AND ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2024-07-31 — — EP disclosed
EP-4406386-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AT LEAST ONE METAL COMPLEX OF FORMULA (I) Novaled GmbH (DE) 2024-07-31 — — EP disclosed
WO-2023041778-A2 COMPOUND, SEMICONDUCTOR LAYER COMPRISING COMPOUND AND ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2023-03-23 — — WO disclosed
WO-2023041774-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AT LEAST ONE METAL COMPLEX OF FORMULA (I) NOVALED GMBH (DE) 2023-03-23 — — WO disclosed
CN-114364653-A Cerium (IV) complexes and their use in organic electronic components 克雷多西斯有限公司 2022-04-15 — — CN disclosed
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