SCHEMBL4615596

SCHEMBL4615596

OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ TACR2 P21452 3/20 0.45
▸ PDE2A O00408 1/20 0.45
▸ GJB2 P29033 1/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ PTPN1 P18031 7/20 0.43
▸ CDC25B P30305 6/20 0.43
▸ PTPN2 P17706 3/20 0.43
▸ PTPN11 Q06124 3/20 0.43
▸ PTPN6 P29350 2/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL29410621 1.00 HTR1A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL18636425 0.96 PDE2A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL17039975 0.96 PDE2A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL16756817 0.96 PDE2A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL16756820 0.96 PDE2A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL24371602 0.96 PDE2A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL29711813 0.96 PDE2A (0.48) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL20870545 0.89 HTR1A (0.43) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL14278490 0.89 HTR1A (0.43) HTR1ANT5ETACR2PDE2AGJB2
SCHEMBL19736552 0.89 HTR1A (0.43) HTR1ANT5ETACR2PDE2AGJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583303-B Tripterine conjugates and uses thereof 瑞阳公司 2026-05-12 — — CN disclosed
CN-117858882-A Prodrugs having 1- (disulfanyl) alkoxy-carbonyl units 药物有限公司 2024-04-09 — — CN disclosed
CN-116583303-A Tripterine conjugates and uses thereof 瑞阳公司 2023-08-11 — — CN disclosed
EP-4200022-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF Reyoung Corporation (US) 2023-06-28 — — EP disclosed
WO-2022271018-A1 PRODRUGS WITH 1-(DISULFANYL)ALKYLOXY-CARBONYL UNITS PHARMACYTICS B.V. (NL) 2022-12-29 — — WO disclosed
WO-2022040487-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF REYOUNG CORPORATION (US) 2022-02-24 — — WO disclosed
WO-2008132541-A2 CONJUGATES OF 2-FLUORO-2-DEOXY-GLUCOSE AND THEIR USES AS ANTI CANCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-11-06 — — WO disclosed
EP-1881000-A1 Conjugates of 2-fluoro-2-deoxy-glucose and their uses as anti cancer agents INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-23 — — EP disclosed
EP-0837867-B1 MODIFIED ALPHA-D-Glcp-(1-2)-ALPHA-D-Glcp-(1-3)-ALPHA-D-Glcp-ANALOGUES ALBERTA RES COUNCIL (CA) 2001-08-16 — — EP disclosed
US-5929037-A GLUCOSIDASE I INHIBITORS ALBERTA RESEARCH COUNCIL (CA) 1999-07-27 — — US disclosed
EP-0837867-A1 MODIFIED $g(a)-D-Glcp-(1-2)-$g(a)-D-Glcp-(1-3)-$g(a)-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-04-29 — — EP disclosed
WO-1996040700-A1 MODIFIED α-D-Glcp-(1-2)-α-D-Glcp-(1-3)-α-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 — — WO disclosed
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