SCHEMBL7872075

SCHEMBL7872075

C=CC1(COC(=O)C(=C)C)COC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.31

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
SCHEMBL7200430 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL9282633 0.78 ALDH1A1 (0.40) ALDH1A1TSHRTHRB
SCHEMBL7871485 0.78 CYP3A4 (0.30)
SCHEMBL7192883 0.76 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL7868604 0.75 PRKCA (0.31)
SCHEMBL7196527 0.74 TSHR (0.36) ALDH1A1TSHRTHRB
SCHEMBL8588553 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL7196483 0.72 TSHR (0.40) ALDH1A1TSHR
SCHEMBL471975 0.72
SCHEMBL7863372 0.72 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6315918-B1 CAPACITOR HAVING HIGH ENERGY DENSITY AND EXCELLENT WITH-STAND VOLTAGE AND CHARGING/DISCHARGING CYCLE PROPERTIES, AND SAFETY PERFORMANCE MITSUI CHEMICALS INC. (JP) 2001-11-13 US disclosed
EP-0908905-A2 Non-aqueous electrolytic solution for capacitor and capacitor containing non-aqueous electrolytic solution Mitsui Chemicals, Inc. (JP) 1999-04-14 EP disclosed