SCHEMBL28347671

SCHEMBL28347671

CCCCCCOCCCCCC.OCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
EPHX1 P07099 1/20 0.46
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
GBA2 Q9HCG7 11/20 0.41
GBA1 P04062 6/20 0.41

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
SCHEMBL27955552 0.98 ALDH1A1 (0.47) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL28344745 0.94 MEN1 (0.59) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL20394647 0.93 SMN1; SMN2 (0.47) ALDH1A1TDP1MEN1THRBHTT
Hexane SCHEMBL151108 0.89 EPHX1 (0.50) ALDH1A1TDP1KMT2AEPHX1
SCHEMBL27982620 0.88 PDK1 (0.38) ALDH1A1TDP1HTTKMT2AMAPT
1-Hexanol SCHEMBL11445517 0.86 EPHX1 (0.48) ALDH1A1TDP1MEN1KMT2AEPHX1
Dodecanol SCHEMBL11857644 0.86 EPHX1 (0.48) ALDH1A1TDP1MEN1KMT2AEPHX1
Heptane SCHEMBL11109441 0.83 EPHX1 (0.46) ALDH1A1TDP1KMT2AEPHX1
SCHEMBL23849829 0.83 ALDH1A1 (0.68) ALDH1A1TDP1EPHX1
SCHEMBL2701059 0.83 ALDH1A1 (0.68) ALDH1A1TDP1EPHX1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718454-B Partially hydrogenated styrene-b-conjugated diene/divinylbenzene random copolymer, preparation and application thereof 中国石油化工股份有限公司 2024-07-05 CN claimed
CN-112480341-B Branched polystyrene-b-conjugated diene diblock copolymer, and preparation method and application thereof 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-111718453-B Partially hydrogenated styrene-b-butadiene-divinylbenzene/isoprene random copolymer, and preparation and application thereof 中国石油化工股份有限公司 2024-03-08 CN claimed
CN-117659317-A Hydrogenated styrene-conjugated diene-styrene triblock copolymer and preparation method and application thereof 中国石油化工股份有限公司 2024-03-08 CN claimed
CN-117624430-A Wide-distribution high-vinyl-content polybutadiene rubber and anionic polymerization method thereof 中国石油化工股份有限公司 2024-03-01 CN claimed
CN-117624474-A Polyethylene-propylene-butene ternary rubber and preparation method thereof 中国石油化工股份有限公司 2024-03-01 CN claimed
CN-117487101-A Multi-arm radial hydrogenated conjugated diene-styrene block copolymer, preparation method thereof and application thereof in lubricating oil 中国石油化工股份有限公司 2024-02-02 CN claimed
CN-115725007-B Preparation method of hydrogenated nitrile rubber 中国石油化工股份有限公司 2023-12-29 CN claimed
CN-117106141-A Hydrogenated dendritic random asymmetric long-chain branched polystyrene-conjugated diene block copolymer and preparation method thereof 中国石油化工股份有限公司 2023-11-24 CN claimed
CN-116987237-A Hydrogenated asymmetric long-chain branched SBS polymer and preparation method thereof 中国石油化工股份有限公司 2023-11-03 CN claimed
CN-116731269-A Hydrogenated asymmetric long-chain branched polystyrene-conjugated diene copolymer, and preparation method and application thereof 中国石油化工股份有限公司 2023-09-12 CN claimed
CN-110483862-B Molecular chain multi-terminal multi-functional solution-polymerized styrene-butadiene rubber, preparation method thereof and application thereof in tire tread rubber material formula 中国石油化工股份有限公司 2023-03-31 CN claimed
CN-115141313-A Acrylonitrile-styrene-conjugated diene random copolymer rubber and synthetic method and application thereof 中国石油化工股份有限公司 2022-10-04 CN claimed
CN-113896697-A Synthesis method of tetrahydrofurfuryl alcohol hexyl ether 中国石油化工股份有限公司 2022-01-07 CN claimed
CN-113896698-A Synthesis method of tetrahydrofurfuryl alcohol ethyl ether 中国石油化工股份有限公司 2022-01-07 CN claimed
CN-111718454-A Partially hydrogenated styrene-b-conjugated diene/divinylbenzene random copolymer and preparation and application thereof 中国石油化工股份有限公司 2020-09-29 CN claimed
CN-111718453-A Partially hydrogenated styrene-b-butadiene-divinylbenzene/isoprene random copolymer and preparation and application thereof 中国石油化工股份有限公司 2020-09-29 CN claimed
CN-110746539-A Molecular chain middle-end functionalized SSBR, synthesis method thereof and application thereof in tire tread rubber 中国石油化工股份有限公司 2020-02-04 CN claimed
CN-111718454-B Partially hydrogenated styrene-b-conjugated diene/divinylbenzene random copolymer, preparation and application thereof 中国石油化工股份有限公司 2024-07-05 CN disclosed
CN-110577678-A End-epoxy-terminated polysulfide rubber modified SSBR, preparation method thereof and application thereof in tread rubber of semi-steel radial tire 中国石油化工股份有限公司 2019-12-17 CN disclosed