SCHEMBL28069393

SCHEMBL28069393

CC(C)(O)C(C)(C)O.OB(O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 2/20 0.37
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
LTA4H P09960 3/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
MAPK1 P28482 1/20 0.33
RIPK1 Q13546 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28867226 0.87 CA1 (0.38) CA1CA2CA4LMNACYP2D6
Methyl Alcohol SCHEMBL28136181 0.86 CA4 (0.43) CA1CA2CA4LMNAALDH1A1
Benzene SCHEMBL28134938 0.86 CA1 (0.46) CA1CA2CA4LMNAALDH1A1
SCHEMBL78440 0.86 CA1 (0.46) CA1CA2CA4LMNAALDH1A1
SCHEMBL28337059 0.86 CA1 (0.46) CA1CA2CA4LMNAALDH1A1
SCHEMBL28102434 0.86 CA1 (0.46) CA1CA2CA4LMNAALDH1A1
SCHEMBL28682844 0.84 CA4 (0.42) CA1CA2CA4LMNAALDH1A1
Boric Acid SCHEMBL10356573 0.84 CA1 (0.44) CA1CA2CA4LMNAALDH1A1
Fluoride SCHEMBL5138060 0.84 CA1 (0.44) CA1CA2CA4LMNAALDH1A1
SCHEMBL139425 0.84 CA1 (0.44) CA1CA2CA4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085143-A Amphiphilic polymer based on phenylboronic acid and preparation method and application thereof 青岛大学附属医院 2024-05-28 CN claimed
CN-117860690-A Self-assembled nano anti-inflammatory drug, preparation method and application thereof 重庆市妇幼保健院(重庆市妇产科医院、重庆市遗传与生殖研究所) 2024-04-12 CN claimed
CN-117487030-A Maltodextrin nanoparticle and preparation method and application thereof 重庆医科大学 2024-02-02 CN claimed
CN-117402383-A Fiber reinforced composite plastic and preparation method thereof 慈溪市跃隆五金塑料有限公司 2024-01-16 CN claimed
CN-117003753-A Carbonyl arylamine pi stacking fluorescent dye and preparation method thereof 广东工业大学 2023-11-07 CN claimed
CN-116874377-A Method for preparing aromatic primary amine by catalytic reduction of nitroaromatic hydrocarbon by silver trifluoromethane sulfonate 延安大学 2023-10-13 CN claimed
CN-114195729-B Benzotriazine single free radical compound and preparation method thereof 郑州大学 2023-06-30 CN claimed
CN-116283660-A Asymmetric synthesis method of chiral cyclopropane derivative 浙江九洲药业股份有限公司 2023-06-23 CN claimed
CN-114605602-B Hierarchical pore covalent organic framework compound and preparation method and application thereof 浙江工业大学 2023-05-23 CN claimed
CN-118302052-A Agricultural composition based on phytosterol and application thereof 精神植物公司 2024-07-05 CN disclosed
CN-118271853-A Thermal interface material composition and composite thermal interface material prepared from same 深圳先进电子材料国际创新研究院 2024-07-02 CN disclosed
CN-118184688-A Preparation method of diisopropylamine silane 铜陵安德科铭电子材料科技有限公司 2024-06-14 CN disclosed
CN-114394924-B Organic two-state fluorescent molecular probe for viscosity detection and preparation method and application thereof 南昌大学 2024-06-04 CN disclosed
CN-118085143-A Amphiphilic polymer based on phenylboronic acid and preparation method and application thereof 青岛大学附属医院 2024-05-28 CN disclosed
CN-108473629-A Polymer composition comprising a crosslinked polymer having borate functional groups capable of undergoing an exchange reaction, process for its preparation and its use 巴黎市工业物理化学学校 2018-08-31 CN disclosed
CN-108368206-A Include polymer composition, the Its Preparation Method And Use of the cross-linked polymer containing the borate functional group that can swap reaction 巴黎市工业物理化学学校 2018-08-03 CN disclosed
CN-106795171-A Antibacterial basic biaromatic derivatives with aminoalkoxy substitution 埃科特莱茵药品有限公司 2017-05-31 CN disclosed
CN-106795156-A 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2017-05-31 CN disclosed
CN-104844746-B A kind of water-soluble polymer with multiple stimulation response and preparation method thereof 南开大学 2017-03-29 CN disclosed
CN-105732957-A A-A type conjugated polymer based on isoindigo-blue and preparation method and application thereof 中国科学院大学 2016-07-06 CN disclosed