SCHEMBL28426825

SCHEMBL28426825

C=CC(CCCCCCC)n1ccnc1.F[B-](F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.40
▸ TBXAS1 P24557 2/20 0.40
▸ PIK3R1 P27986 2/20 0.32
▸ AKT1 P31749 2/20 0.32
▸ AKT2 P31751 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ AKT3 Q9Y243 2/20 0.32
▸ TBXA2R P21731 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL28670320 1.00 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL28569993 1.00 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL29250255 1.00 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28670608 0.99 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27677519 0.94 CYP17A1 (0.45) CYP17A1TBXAS1CYP3A4CYP2D6
SCHEMBL27918142 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27685945 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27908258 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL15657207 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27915211 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118780-A Production process of high-purity 1, 2-dichloroethylene 南通宝凯药业有限公司 2024-12-13 — — CN claimed
CN-116854286-A Treatment method of soybean protein processing wastewater 北京工商大学 2023-10-10 — — CN claimed
CN-119118780-A Production process of high-purity 1, 2-dichloroethylene 南通宝凯药业有限公司 2024-12-13 — — CN disclosed
CN-119118780-A Production process of high-purity 1, 2-dichloroethylene 南通宝凯药业有限公司 2024-12-13 — — CN disclosed
CN-118543256-A Gas separation ion gel membrane and preparation method and application thereof 山东圳谷新材料科技有限公司 2024-08-27 — — CN disclosed
CN-115466355-B Multifunctional conductive ionic gel, preparation method and application thereof 华中科技大学 2023-10-24 — — CN disclosed
CN-116854286-A Treatment method of soybean protein processing wastewater 北京工商大学 2023-10-10 — — CN disclosed
CN-115513505-B Ionic liquid/polymer composite membrane and preparation method and application thereof 华中科技大学 2023-09-29 — — CN disclosed
CN-108827744-B Portable field sample preparation device using integral material as extraction medium 厦门大学 2020-06-23 — — CN disclosed
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