SCHEMBL7770926

SCHEMBL7770926

C=CCC(CC)C(=S)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL11514150 0.83 CA2 (0.45) TSHRHPGDCA1CA2CA12
SCHEMBL7774738 0.82 CA12 (0.33) CA1CA2CA12CA9
SCHEMBL7771288 0.81 TSHR (0.43) TSHRHPGDCA1CA2CA12
SCHEMBL7771283 0.76 CA1 (0.31) CA1CA2
SCHEMBL8022819 0.75
SCHEMBL7770938 0.75 TSHR (0.44) TSHRHPGDCA1CA2CA12
SCHEMBL7772510 0.73 TSHR (0.46) TSHRHPGDCA1CA2CA12
SCHEMBL3023797 0.71
SCHEMBL11129247 0.70 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL5689545 0.69 TSHR (0.55) TSHRHPGDATMALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed