SCHEMBL22872136

SCHEMBL22872136

CC1CCC(c2ccc(-c3ccc(C(F)(F)F)s3)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.42
▸ FASN P49327 1/20 0.39
▸ PDK2 Q15119 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ ESR1 P03372 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30
▸ POLQ O75417 1/20 0.30
▸ DHODH Q02127 1/20 0.30

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
SCHEMBL23346099 0.90 QPCT (0.43) QPCTFASNPDK2ESR2ESR1
SCHEMBL23346098 0.87 QPCT (0.39) QPCTFASNPDK2ESR2ESR1
SCHEMBL23552119 0.87 QPCT (0.43) QPCTPDK2ESR2ESR1PDE3B
SCHEMBL23291419 0.86 QPCT (0.40) QPCTFASNPDK2ESR2ESR1
SCHEMBL29940748 0.86 QPCT (0.40) QPCTFASNPDK2ESR2ESR1
SCHEMBL23346097 0.86 QPCT (0.41) QPCTFASNPDK2ESR2ESR1
SCHEMBL23346100 0.86 QPCT (0.41) QPCTPDK2ESR2ESR1PDE3B
SCHEMBL23346035 0.85 ESR2 (0.40) FASNPDK2ESR2ESR1CYP3A4
SCHEMBL22872128 0.84 ESR2 (0.34) QPCTFASNESR2DRD2TAS1R3
SCHEMBL22872140 0.83 QPCT (0.43) QPCTPDK2ESR2ESR1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 — — EP disclosed
WO-2023198673-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
WO-2023198669-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
WO-2023198671-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
EP-3763802-B1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-09-06 — — EP disclosed
EP-4015599-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2022-06-22 — — EP disclosed
US-11359142-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2022-06-14 — — US disclosed
US-11168255-B2 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-11-09 — — US disclosed
US-20210189241-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2021-06-24 — — US disclosed
US-20210139779-A1 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-05-13 — — US disclosed
EP-3763802-A1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2021-01-13 — — EP disclosed
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