SCHEMBL1621101

SCHEMBL1621101

COc1cc(CO)cc(CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.45
CALM1 P0DP23 3/20 0.44
AKR1B1 P15121 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 1/20 0.42
ACHE P22303 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL65276 0.95 ALDH1A1 (0.58) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28123040 0.92 ALDH1A1 (0.55) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8228443 0.91 DAO (0.47) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1743718 0.89 DAO (0.46) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1620230 0.89 GRIN2D (0.47) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14355706 0.89 GRIN2D (0.47) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL920598 0.88 ALDH1A1 (0.50) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16951830 0.87 DAO (0.53) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1650366 0.86 CALM1 (0.61) DAOALDH1A1MAPTCALM1AKR1B1
SCHEMBL29389280 0.86 CALM1 (0.61) DAOALDH1A1MAPTCALM1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924033-B Electron-deficient macrocyclic molecule, and preparation method and application thereof 中国科学院理化技术研究所 2026-05-12 CN claimed
CN-117924033-A Novel electron-deficient macrocyclic molecule, and preparation method and application thereof 中国科学院理化技术研究所 2024-04-26 CN claimed
CN-117924033-B Electron-deficient macrocyclic molecule, and preparation method and application thereof 中国科学院理化技术研究所 2026-05-12 CN disclosed
WO-2025001408-A1 PHOSPHORUS-CONTAINING OR SULFUR-CONTAINING MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-01-02 WO disclosed
WO-2024199063-A1 PHOSPHORUS OR SULFUR-CONTAINING MACROCYCLE AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
WO-2024199069-A1 POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
CN-118724963-A Macrocyclic compounds containing phosphorus or sulfur and use thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
CN-117924033-A Novel electron-deficient macrocyclic molecule, and preparation method and application thereof 中国科学院理化技术研究所 2024-04-26 CN disclosed
CN-114341103-B Aminoguanhydrazones as retrograde transport stabilizers useful in the treatment of neurological diseases 圣拉斐尔医院有限公司 2023-11-10 CN disclosed
EP-3188832-B1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RES & DEV (IL) 2023-10-04 EP disclosed
US-20020115092-A1 Energy transfer labels with mechanically linked fluorophores THE SCRIPPS RESEARCH INSTITUTE 2002-08-22 US disclosed
WO-2002040701-A2 ENERGY TRANSFER LABELS WITH MECHANICALLY LINKED FLUOROPHORES THE SCRIPPS RESEARCH INSTITUTE (US) 2002-05-23 WO disclosed
US-5763681-A ALPHA-2-ADAMANTYLIDENE-ALPHA-METHOXY-META-METHOXYTOLUENE AND RELATED COMPOUNDS AS INTERMEDIATES TROPIX, INC. (US) 1998-06-09 US disclosed
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US disclosed
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP disclosed