SCHEMBL31344466

SCHEMBL31344466

O=C(C1=C(O[Mn]OC2=C(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)S(=O)(=O)c3ccccc32)c2ccccc2S1(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CES2 O00748 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TACR1 P25103 3/20 0.36
▸ P2RX1 P51575 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 1/20 0.34
▸ GPBAR1 Q8TDU6 3/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31344469 0.85 CNR1 (0.38) CNR1CNR2CES2MAPTTACR1
SCHEMBL31344467 0.82 CNR2 (0.44) CNR1CNR2CES2TACR1P2RX1
SCHEMBL31127007 0.74 TACR1 (0.40) CNR1CNR2CES2MAPTTACR1
SCHEMBL3660211 0.66 CNR2 (0.71) CNR1CNR2CES2MAPTTACR1
SCHEMBL16180051 0.65 CES2 (0.73) CNR1CNR2CES2MAPTTACR1
SCHEMBL31081586 0.63 CNR2 (0.66) CNR1CNR2CES2P2RX1L3MBTL1
SCHEMBL31127005 0.62 DHODH (0.46) CNR1CNR2CES2MAPTTACR1
SCHEMBL5310287 0.62 AKR1C3 (0.58) CNR1CNR2CES2TACR1P2RX1
SCHEMBL9934058 0.61 SRD5A2 (0.55) CNR1CNR2CES2P2RX1MEN1
SCHEMBL1173269 0.61 P2RX1 (0.61) CNR1CNR2CES2MAPTP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4518635-B1 ORGANIC ELECTRONIC DEVICE COMPRISING A HOLE INJECTION LAYER, WHEREIN THE HOLE INJECTION LAYER COMPRISES A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (III) NOVALED GMBH (DE) 2026-03-25 — — EP disclosed
EP-4516876-B1 COMPOUND OF FORMULA (I), ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (1), DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE AS WELL AS COMPOUNDS OF FORMULA (1) FOR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2025-10-15 — — EP disclosed
EP-4601446-A1 ORGANIC PHOTODETECTOR COMPRISING A METAL COMPLEX OF FORMULA (I), AN ORGANIC ELECTRONIC DEVICE COMPRISING THE ORGANIC PHOTOTECTOR AS WELL AS A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2025-08-13 — — EP disclosed
EP-4600240-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A METAL COMPLEX OF FORMULA (I) AS WELL AS A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2025-08-13 — — EP disclosed
EP-4557928-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (III), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2025-05-21 — — EP disclosed
WO-2025045829-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A HOLE INJECTION LAYER, WHEREIN THE HOLE INJECTION LAYER COMPRISES A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (III) NOVALED GMBH (DE) 2025-03-06 — — WO disclosed
EP-4516876-A1 COMPOUND OF FORMULA (I), ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (1), DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE AS WELL AS COMPOUNDS OF FORMULA (1) FOR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2025-03-05 — — EP disclosed
EP-4518635-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A HOLE INJECTION LAYER, WHEREIN THE HOLE INJECTION LAYER COMPRISES A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (III) Novaled GmbH (DE) 2025-03-05 — — EP disclosed
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