SCHEMBL8599182

SCHEMBL8599182

CCOC(=O)CCSSCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP2D6 P10635 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL283994 0.93 GAA (0.52) TSHRCYP1A2MGAMGAASI
SCHEMBL8603687 0.92 TSHR (0.46) TSHRCYP1A2MGAMGAASI
SCHEMBL5016265 0.89 LMNA (0.58) TSHRCYP1A2MGAMGAASI
SCHEMBL11441718 0.87 CYP1A2 (0.47) TSHRCYP1A2MGAMGAASI
SCHEMBL29135741 0.83 TSHR (0.52) TSHRTDP1KMT2ALMNAHSD17B10
SCHEMBL11430132 0.83 CYP1A2 (0.47) TSHRCYP1A2MGAMGAASI
SCHEMBL363334 0.81 MGAM (0.55) TSHRCYP1A2MGAMGAASI
Succinic Acid Diethyl Ester SCHEMBL27966388 0.81 MGAM (0.55) TSHRCYP1A2MGAMGAASI
Succinic Acid Diethyl Ester SCHEMBL27830938 0.81 MGAM (0.55) TSHRCYP1A2MGAMGAASI
SCHEMBL262913 0.81 MGAM (0.55) TSHRCYP1A2MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180240674-A1 PASSIVATION OF GERMANIUM SURFACES TRUIST BANK, AS NOTES COLLATERAL AGENT 2018-08-23 US claimed
US-10934439-B2 Additives for coating compositions and related methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-02 US disclosed
CN-105408446-B The manufacture method of photochromic optical material 三井化学株式会社 2018-01-09 CN disclosed
US-5821382-A REACTING UNSATURATED COMPOUND AND HYDROGEN SULFIDE IN PRESENCE OF NITROGEN-CONTAINING COMPOUND SELECTED FROM SUBSTITUTED OR UNSUBSTITUTED AMIDES OR UREAS AND POLYSULFIDE COMPOUND OR SULFUR NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-13 US disclosed
EP-0825179-A1 PROCESS FOR THE PREPARATION OF THIOL COMPOUNDS Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1998-02-25 EP disclosed