SCHEMBL8076328

SCHEMBL8076328

COC(=O)CCCCC(=O)OC.[SnH2]

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.82
LMNA P02545 5/20 0.60
ALDH1A1 P00352 2/20 0.60
RECQL P46063 1/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 2/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL14975 0.97 TSHR (0.88) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL27953228 0.97 TSHR (0.88) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL3503395 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
Dimethyl Succinate SCHEMBL8829301 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL3503548 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL494114 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL3502791 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL8076331 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
Hydrochloric Acid SCHEMBL21436145 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL1286873 0.94 TSHR (0.82) TSHRLMNAALDH1A1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765891-B1 Process for the preparation of water-blown integral skin polyurethane foams and catalysts useful therein BAYER AG (US) 2000-08-09 EP disclosed
EP-0765891-A1 Water-blown integral skin polyurethane foams and catalysts useful therein Bayer Corporation (US) 1997-04-02 EP disclosed
US-5514723-A POLYMERIZATION USING CATALYST MIXTURE OF DIORGANOTIN SULFIDE, TERTIARY AMINE, AND TIN COMPOUND BAYER CORPORATION (US) 1996-05-07 US disclosed
US-4855352-A Process for the production of stable dispersions, the dispersions so produced, and the use thereof in the manufacture of polyurethanes MOBAY CORPORATION (US) 1989-08-08 US disclosed
US-4353995-A TERTIARY AMINE, TIN COMPOUND, AND BARIUM OR CALCIUM CARBOXYLATE MOBAY CHEMICAL CORPORATION (US) 1982-10-12 US disclosed
EP-0016355-A2 Novel catalyst system for polyurethane foams and the use thereof Mobay Chemical Corporation (US) 1980-10-01 EP disclosed
US-4217247-A TERTIARY AMINE, TIN COMPOUND, CALCIUM OR BARIUM CARBOXYLATE MOBAY CHEMICAL CORPORATION (US) 1980-08-12 US disclosed