Sugi Predict

Sugi Predict / Compounds / SCHEMBL8113015

SCHEMBL8113015

SCHEMBL8113015

CC(C)(C)[Si](Oc1ccc(B(O)O)cc1)(c1ccccc1)c1ccccc1.CC(C)(Cc1ccc(Br)cc1)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)Cc1ccc(Br)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ TSHR P16473 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
SCHEMBL6698974 0.81 CA2 (0.49) CA1CA2
SCHEMBL8114078 0.81 SLC6A2 (0.35) TSHR
SCHEMBL6058734 0.77 ALDH1A1 (0.37) TSHR
SCHEMBL754087 0.71 TRPA1 (0.41) TSHR
SCHEMBL3540870 0.71 LTA4H (0.49) TSHR
SCHEMBL7791559 0.70 LPL (0.40) CA1CA2
SCHEMBL7096596 0.69 ESR2 (0.46) CA1CA2
SCHEMBL7795405 0.69 TAAR1 (0.35) —
SCHEMBL11957421 0.68 MAOB (0.47) —
SCHEMBL12075598 0.68 LPL (0.42) CA1CA2

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-0573878-B1 3-fluoropyridines, process for their preparation and their use in liquid crystal mixtures AVENTIS RES & TECH GMBH & CO (DE) 2000-12-20 — — EP disclosed
EP-0649409-A1 VINYL ARENAS HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1995-04-26 — — EP disclosed
WO-1993025530-A2 VINYL ARENAS HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1993-12-23 — — WO disclosed
WO-1993025529-A1 3-FLUOROPYRIDINES, METHOD OF PREPARING THEM AND THEIR USE IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO disclosed
EP-0573878-A1 3-fluoropyridines, process for their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-15 — — EP disclosed