SCHEMBL11522345

SCHEMBL11522345

OCC(O)CCCC(O)CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
Acrylic Acid SCHEMBL9175058 0.85 LMNA (0.30) LMNA
SCHEMBL30766147 0.85 PTPN1 (0.33)
SCHEMBL3386110 0.84
SCHEMBL981080 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6436029 0.80
SCHEMBL3235400 0.79 ALDH1A1 (0.43) THRBALDH1A1
SCHEMBL3243068 0.79 ALDH1A1 (0.43) THRBALDH1A1
SCHEMBL674633 0.79 ALDH1A1 (0.43) ALDH1A1
Oxirane SCHEMBL11531139 0.78 ALDH1A1 (0.35) ALDH1A1LMNA
Glycerin SCHEMBL27784241 0.78 TSHR (0.38) 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-4066392-A POLYTHIOLS, NITROGEN CONDENSATION PRODUCTS AND STABILIZERS I.W.S. NOMINEE COMPANY LIMITED (EN) 1978-01-03 US claimed
US-4147690-A MAGNESIUM HYDROXIDE, ALUMINA TRIHYDRATE THE BURNS & RUSSELL COMPANY OF BALTIMORE (US) 1979-04-03 US disclosed