SCHEMBL28651252

SCHEMBL28651252

CCOP(=O)(OCC)OCCCO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
CYP3A4 P08684 2/20 0.56
PPARD Q03181 2/20 0.46
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LPAR3 Q9UBY5 4/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2383744 0.93 TSHR (0.56) TSHRCYP3A4PPARDCA12CA1
SCHEMBL212642 0.91 TSHR (0.54) TSHRCYP3A4PPARDCA12CA1
SCHEMBL28589893 0.91 TSHR (0.54) TSHRCYP3A4PPARDCA12CA1
SCHEMBL379401 0.88 CYP3A4 (0.55) TSHRCYP3A4PPARDLPAR3LPAR1
SCHEMBL5354923 0.86 CYP3A4 (0.77) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL28740106 0.86 CYP3A4 (0.77) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL992694 0.86 TSHR (0.65) TSHRCYP3A4PPARDCA12CA1
SCHEMBL342779 0.85 TSHR (0.72) TSHRCYP3A4CA12CA1CA2
SCHEMBL27042377 0.85 TSHR (0.72) TSHRCYP3A4CA12CA1CA2
SCHEMBL16744306 0.84 TSHR (0.62) TSHRCYP3A4PPARDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122060137-A Double-anchoring modified water-based blocked isocyanate curing agent and preparation method and application thereof 安徽大学 2026-05-19 CN claimed
CN-117050259-A Silicon-phosphorus block intrinsic flame-retardant polyurea material and preparation method thereof 北京化工大学 2023-11-14 CN claimed
CN-116444196-B Composite water reducing agent and application thereof 北京鼎瀚中航建设有限公司 2023-08-22 CN claimed
CN-116355106-B Preparation method of starch-based water reducer 北京慕湖外加剂有限公司 2023-08-08 CN claimed
CN-116444196-A Composite water reducing agent and application thereof 北京鼎瀚中航建设有限公司 2023-07-18 CN claimed
CN-116355106-A Preparation method of starch-based water reducer 北京慕湖外加剂有限公司 2023-06-30 CN claimed
CN-113150662-B PAE polyurea foaming flame-retardant heat-preservation high-strength coating 浙江艾特普科技有限公司 2022-02-18 CN claimed
CN-113354682-A Halogen-free flame-retardant polyaspartic acid ester and preparation method and application thereof 姜山 2021-09-07 CN claimed
CN-113150662-A PAE polyurea foaming flame-retardant heat-preservation high-strength coating 浙江艾特普科技有限公司 2021-07-23 CN claimed
CN-122060137-A Double-anchoring modified water-based blocked isocyanate curing agent and preparation method and application thereof 安徽大学 2026-05-19 CN disclosed
CN-117050259-A Silicon-phosphorus block intrinsic flame-retardant polyurea material and preparation method thereof 北京化工大学 2023-11-14 CN disclosed
CN-116444196-B Composite water reducing agent and application thereof 北京鼎瀚中航建设有限公司 2023-08-22 CN disclosed
CN-116355106-B Preparation method of starch-based water reducer 北京慕湖外加剂有限公司 2023-08-08 CN disclosed
CN-116444196-A Composite water reducing agent and application thereof 北京鼎瀚中航建设有限公司 2023-07-18 CN disclosed
CN-116355106-A Preparation method of starch-based water reducer 北京慕湖外加剂有限公司 2023-06-30 CN disclosed
CN-113150662-B PAE polyurea foaming flame-retardant heat-preservation high-strength coating 浙江艾特普科技有限公司 2022-02-18 CN disclosed
CN-113354682-A Halogen-free flame-retardant polyaspartic acid ester and preparation method and application thereof 姜山 2021-09-07 CN disclosed
CN-113150662-A PAE polyurea foaming flame-retardant heat-preservation high-strength coating 浙江艾特普科技有限公司 2021-07-23 CN disclosed