SCHEMBL5636017

SCHEMBL5636017

CCCCC(CC)COC(S)CCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 6/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL15659535 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL5404290 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1ATM
Ethylene Glycol SCHEMBL10498005 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL250960 0.76 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL13195681 0.76 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL8348320 0.76 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL102775 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1ATM
Ethylene Glycol SCHEMBL33531 0.75 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1ATM
Ethylene Glycol SCHEMBL1834227 0.75 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL8217861 0.75 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109261-B2 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions ROHM AND HAAS COMPANY (US) 2006-09-19 US disclosed
US-20050176862-A1 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions PMC CINCINNATI, INC. 2005-08-11 US disclosed
US-6790892-B1 MERCAPTAN-CONTAINING HEAT STABILIZER COMPOSITION SUBSTANTIALLY FREE FROM OFFENSIVE ODOR ROHM AND HAAS COMPANY 2004-09-14 US disclosed
US-6743840-B1 HEAT STABILIZER; ODORLESS; DEGRADATION PRODUCTS OF A BLOCKED MERCAPTAN ROHM AND HAAS COMPANY 2004-06-01 US disclosed
US-6573318-B2 Highly effective heat stabilizers in halogenated polymer are prepared by the condensation of formaldehyde and para-substituted phenol and further condensation of the crude product with mercapto containing compound ROHM AND HAAS COMPANY 2003-06-03 US disclosed
US-6559214-B1 Composition comprising a halogen containing polymer and degradation products of a blocked mercaptan present as the sole heat stabilizer during processing of the composition at an elevated temperature, said products including a free PMC CINCINNATI, INC. 2003-05-06 US disclosed
US-6548707-B1 Deodorizing; heat and oxidation resistance; stabilizers ROHM AND HAAS COMPANY 2003-04-15 US disclosed
US-6537466-B1 Odor free heat stabilizers; also serve as intermediates for antioxidants, antimicrobial agents, photostabilizers, and primary heat stabilizers ROHM AND HAAS COMPANY 2003-03-25 US disclosed
US-20020068780-A1 LATENT MERCAPTANS AS MULTI-FUNCTIONAL ADDITIVES FOR HALOGEN-CONTAINING POLYMER COMPOSITIONS PMC CINCINNATI, INC. 2002-06-06 US disclosed