SCHEMBL91812

SCHEMBL91812

CC=CC1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HSD11B1 P28845 1/20 0.38
HDAC2 Q92769 1/20 0.37
MAOB P27338 4/20 0.37
EGLN2 Q96KS0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
MAOA P21397 2/20 0.35
USP30 Q70CQ3 3/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL6459328 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459335 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459320 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459324 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044943 0.95 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044940 0.95 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL9168960 0.95 HRH3 (0.45) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044951 0.95 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044947 0.95 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL9168952 0.95 HRH3 (0.45) GRIA1GRIA2GRIA3KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4676604-A RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-06-30 US claimed
EP-3469576-B1 MULTI-LAYER DISPLAY WITH COLOR AND CONTRAST ENHANCEMENT SAMSUNG ELECTRONICS CO LTD (KR) 2024-07-03 EP disclosed
CN-109478389-B Multi-layer display with color and contrast enhancement 三星电子株式会社 2023-01-10 CN disclosed
CN-109477972-B Multi-layer high transparency display for light field generation 三星电子株式会社 2022-02-22 CN disclosed
EP-3666860-A1 ANTI-FLAKING AGENT AND LUBRICANT COMPOSITION COMPRISING THE SAME Kyodo Yushi Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-111139117-A Anti-flaking agent and lubricant composition containing same 协同油脂株式会社 2020-05-12 CN disclosed
US-10565925-B2 Full color display with intrinsic transparency SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-18 US disclosed
US-10554962-B2 Multi-layer high transparency display for light field generation SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-04 US disclosed
US-10453371-B2 Multi-layer display with color and contrast enhancement SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-22 US disclosed
US-10375365-B2 Projection system with enhanced color and contrast SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-08-06 US disclosed
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed
US-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
US-5013478-A Electromagnetic radiation resistance; miscibility; dielectrics; rotation and guest/host cells HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
US-4980486-A Phenyl isothiocyanates HOFFMANN-LA ROCHE INC. (US) 1990-12-25 US disclosed
US-4915480-A Liquid crystalline compounds and mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US disclosed
US-4676604-A RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-06-30 US disclosed
US-4565425-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US disclosed