SCHEMBL8622847

SCHEMBL8622847

O=C1OC(=O)C12CCCC=C2[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL8621225 0.89
SCHEMBL8619669 0.58
SCHEMBL6675990 0.57 LMNA (0.31) ALDH1A1CYP3A4
SCHEMBL11164592 0.56 TP53 (0.32) CYP3A4
SCHEMBL6999502 0.56 TP53 (0.32) CYP3A4
SCHEMBL8625364 0.55
SCHEMBL9716455 0.54
SCHEMBL1705309 0.54
SCHEMBL1697297 0.54
SCHEMBL7595679 0.53

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
EP-0608132-B1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1998-05-20 EP disclosed
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
EP-0659848-A2 Coating composition and antifouling paint Hitachi Chemical Co., Ltd. (JP) 1995-06-28 EP disclosed
EP-0608132-A1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed