Propene

Propene

SCHEMBL11550802

C=CC.C=CC.C=CC.O=C(Cl)CO

nearest known ligand 0.36

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
Propene SCHEMBL11557928 1.00 TSHR (0.36) TSHRALDH1A1TP53TDP1LMNA
Propene SCHEMBL11555643 1.00 TSHR (0.36) TSHRALDH1A1TP53TDP1LMNA
Propene SCHEMBL27748846 0.79
SCHEMBL24137 0.79
Glycolic Acid SCHEMBL1226604 0.78
Glycolic Acid SCHEMBL1069175 0.78 LMNA (0.39) TSHRALDH1A1LMNA
Glycolic Acid SCHEMBL11323378 0.78 LMNA (0.39) TSHRALDH1A1LMNA
Propene SCHEMBL28359349 0.76 LMNA (0.44) TSHRALDH1A1TDP1LMNA
Propene SCHEMBL28363119 0.76 LMNA (0.44) TSHRALDH1A1TDP1LMNA
Propene SCHEMBL7380068 0.76

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-4156683-A CROWN COMPOUNDS USED AS CHELATING AGENTS SCHERING CORPORATION (US) 1979-05-29 US disclosed
US-3966766-A CHELATING AGENTS SCHERING CORPORATION (US) 1976-06-29 US disclosed