SCHEMBL29635198

SCHEMBL29635198

COc1cccc(P(c2cccc(OC)c2)c2cccc(OC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
CYP3A4 P08684 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ENPP2 Q13822 1/20 0.47
CA4 P22748 1/20 0.46
CHRM5 P08912 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL197286 1.00 ACHE (0.54) ACHECYP3A4CA1CA2CA7
Hydrochloric Acid SCHEMBL5427158 0.98 ACHE (0.52) ACHECYP3A4CA1CA2CA7
Phosphine SCHEMBL6466867 0.98 ACHE (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL5713343 0.98 ACHE (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL8030637 0.94 CA4 (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL6676480 0.94 CA4 (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL16487759 0.92 ACHE (0.69) ACHECYP3A4CA1CA2CA7
SCHEMBL20873235 0.87 ACHE (0.47) ACHECYP3A4CA1CA2CA7
SCHEMBL9624468 0.87 ALDH1A1 (0.45) ACHECYP3A4CA1CA2CA7
1,3-Dimethoxybenzene SCHEMBL28127772 0.85 CA4 (0.52) ACHECYP3A4CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327007-B VT107 preparation method 上海陶术生物科技有限公司 2024-09-13 CN claimed
CN-117327007-A VT107 preparation method 上海陶术生物科技有限公司 2024-01-02 CN claimed
CN-115974856-A Preparation method of medicine of vatistal for treating adult T cell leukemia lymphoma 北京康立生医药技术开发有限公司 2023-04-18 CN claimed
CN-110330485-B Indeno isoquinoline compounds and preparation method thereof 中国科学技术大学 2023-03-10 CN claimed
CN-112679292-B Synthesis method of secondary sulfonamide compound 复旦大学 2022-05-20 CN claimed
CN-114478632-A Spiro-dihydrobenzothiole diphosphine compound, and preparation method and application thereof 中国科学院上海有机化学研究所 2022-05-13 CN claimed
EP-4735171-A1 RECYCLING OF HOMOGENEOUS PALLADIUM CATALYST Firmenich SA (CH) 2026-05-06 EP disclosed
CN-119570010-A Polyethylene glycol-poly (2-vinyl) ethylene glycol copolymer and preparation method thereof 绍兴新迈特新材料有限公司 2025-03-07 CN disclosed
CN-119371442-A Novel hybridized cuprous iodide luminescent material, preparation method and fluorescent application thereof 南方科技大学 2025-01-28 CN disclosed
WO-2025002969-A1 RECYCLING OF HOMOGENEOUS PALLADIUM CATALYST FIRMENICH SA (CH) 2025-01-02 WO disclosed
WO-2024176764-A1 COMPOUND, ORGANIC THIN FILM, AND ORGANIC PHOTODETECTOR 東洋紡株式会社 2024-08-29 WO disclosed
CN-118103428-A Organic semiconductor material 东洋纺株式会社 2024-05-28 CN disclosed
CN-112566893-B Preparation of diesters of (meth) acrylic acid from epoxides 赢创运营有限公司 2024-03-01 CN disclosed
CN-115974856-A Preparation method of medicine of vatistal for treating adult T cell leukemia lymphoma 北京康立生医药技术开发有限公司 2023-04-18 CN disclosed
CN-110330485-B Indeno isoquinoline compounds and preparation method thereof 中国科学技术大学 2023-03-10 CN disclosed
CN-114967330-A Colored resin composition 住友化学株式会社 2022-08-30 CN disclosed
CN-114967328-A Colored resin composition 住友化学株式会社 2022-08-30 CN disclosed
CN-114478375-A Preparation method of 3-alkenyl quinoline-2 (1H) ketone derivative 浙江理工大学 2022-05-13 CN disclosed
CN-114478375-A Preparation method of 3-alkenyl quinoline-2 (1H) ketone derivative 浙江理工大学 2022-05-13 CN disclosed
CN-114478632-A Spiro-dihydrobenzothiole diphosphine compound, and preparation method and application thereof 中国科学院上海有机化学研究所 2022-05-13 CN disclosed