SCHEMBL30523912

SCHEMBL30523912

OB(O)Oc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSPB1 P04792 3/20 0.39
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 4/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.35

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
SCHEMBL2268873 1.00 CES2 (0.39) CES2CES1HSPB1CA3CA6
SCHEMBL1484426 0.84 IDO1 (0.43) CES2CES1HSPB1CA3CA6
SCHEMBL28541327 0.83 HSPB1 (0.37) CES2CES1HSPB1CA3CA6
SCHEMBL3269792 0.83 HSPB1 (0.37) CES2CES1HSPB1CA3CA6
SCHEMBL4087411 0.83 CA3 (0.43) CES2CES1CA3CA6CA5A
SCHEMBL30300590 0.83 CA3 (0.43) CES2CES1CA3CA6CA5A
SCHEMBL31030938 0.81 ESR1 (0.38)
SCHEMBL31114606 0.81 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL31055822 0.80 ESR2 (0.49)
SCHEMBL2414121 0.79 PPARG (0.45) MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775230-A Preparation method and application of tetrahydrofuran cyclostyrenes compound 中国石油化工股份有限公司 2025-04-08 CN claimed
CN-118599512-A Star-shaped macromolecular crosslinking agent for temperature-resistant salt-tolerant seawater-based fracturing fluid, fracturing fluid and preparation method 中海油能源发展股份有限公司 2024-09-06 CN claimed
CN-118336009-A Phenylboronic acid-based additive and electrolyte for lithium/carbon fluoride primary battery 上海大学 2024-07-12 CN claimed
CN-114262330-B Fascaplysin derivative, preparation method and application thereof in resisting MRSA 宁波大学 2023-12-12 CN claimed
CN-120136692-A Synthesis method of nemonoxacin malate intermediate 2, 4-difluoro-3-methoxy-1-benzoic acid 浙江昌海制药有限公司 2025-06-13 CN disclosed
CN-119585337-A Method for preparing epoxy resin composition for material pre-impregnation 澳泽化学特罗斯特贝格有限公司 2025-03-07 CN disclosed
CN-119528713-A Synthesis method of nemonoxacin intermediate 2, 4-difluoro-3-methoxy-1-benzoic acid 浙江昌海制药有限公司 2025-02-28 CN disclosed
CN-112789747-B Organic light emitting device 株式会社LG化学 2025-02-07 CN disclosed
CN-118336009-A Phenylboronic acid-based additive and electrolyte for lithium/carbon fluoride primary battery 上海大学 2024-07-12 CN disclosed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN disclosed
CN-114262330-B Fascaplysin derivative, preparation method and application thereof in resisting MRSA 宁波大学 2023-12-12 CN disclosed
CN-117044425-A Organic light emitting device 株式会社LG化学 2023-11-10 CN disclosed
CN-116761834-A Storage stable epoxy resin composition 澳泽化学特罗斯特贝格有限公司 2023-09-15 CN disclosed
CN-114207024-B Storage stable epoxy resin composition 澳泽化学特罗斯特贝格有限公司 2023-08-22 CN disclosed