SCHEMBL8396140

SCHEMBL8396140

C=C(C=CC(=O)O)C(=O)OCC.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HCAR2 Q8TDS4 5/20 0.45
▸ HPGD P15428 1/20 0.42
▸ TP53 P04637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL1959213 0.89 TSHR (0.46) TSHRALDH1A1CYP3A4HCAR2HPGD
Maleic Acid SCHEMBL28119985 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HCAR2HPGD
Acrylic Acid Methyl Ester SCHEMBL8910788 0.87 HCAR2 (0.40) TSHRALDH1A1CYP3A4HCAR2HPGD
SCHEMBL1821242 0.86 TSHR (0.51) TSHRALDH1A1CYP3A4HCAR2HPGD
SCHEMBL11825919 0.86 TSHR (0.51) TSHRALDH1A1CYP3A4HCAR2HPGD
SCHEMBL3246416 0.86 HCAR2 (0.44) TSHRALDH1A1CYP3A4HCAR2ESR1
SCHEMBL3361083 0.85 TSHR (0.61) TSHRALDH1A1CYP3A4HCAR2HPGD
Acrylic Acid Ethyl Ester SCHEMBL7225855 0.83 TSHR (0.61) TSHRALDH1A1CYP3A4HCAR2HPGD
Acrylic Acid SCHEMBL7069617 0.82 HCAR2 (0.37) TSHRALDH1A1CYP3A4HCAR2ESR1
Acrylic Acid SCHEMBL1100290 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HCAR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591898-B1 Adhesive compositions, wound dressings and methods MINNESOTA MINING & MFG (US) 1999-05-26 — — EP disclosed
US-5633010-A Adhesive compositions, wound dressings and methods MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-27 — — US disclosed
US-5622711-A PRESSURE SENSITIVE HYDROCOLLOID ADHESIVE COMPOSITION CONSISTING OF HYDROPHOBIC UNSATURATED ELASTOMERIC HOMOPOLYMER CROSSLINKED WITH GAMMA RADIATION, POLYISOBUTYLENE TACKIFIER, HYDROCOLLOID ABSORBENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-22 — — US disclosed
EP-0591898-A1 Adhesive compositions, wound dressings and methods MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-04-13 — — EP disclosed
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