SCHEMBL72587

SCHEMBL72587

C#CCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.56
MAOA P21397 7/20 0.56
GSTP1 P09211 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
KCNA3 P22001 1/20 0.50
ACHE P22303 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
KCNH2 Q12809 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
Iodide SCHEMBL28028057 0.98 MAOB (0.54) MAOBMAOAGSTP1CA12CA1
Ammonia Solution, Strong SCHEMBL27782744 0.98 MAOB (0.54) MAOBMAOAGSTP1CA12CA1
Ethylene SCHEMBL28489836 0.95 MAOB (0.53) MAOBMAOAGSTP1CA12CA1
Formaldehyde SCHEMBL28138949 0.93 GSTP1 (0.52) MAOBMAOAGSTP1CA12CA1
Zinc Chloride SCHEMBL27876548 0.91 MAOB (0.50) MAOBMAOAGSTP1CA12CA1
SCHEMBL9729724 0.91 LTA4H (0.55) MAOBMAOAGSTP1CA12CA1
Acetic Acid SCHEMBL28643354 0.88 ALOX15 (0.48) MAOBMAOAGSTP1CA12CA1
Acetone SCHEMBL10336499 0.88 ALOX15 (0.48) MAOBMAOAGSTP1CA12CA1
SCHEMBL5704167 0.87 CA12 (0.63) MAOBMAOAGSTP1CA12CA1
SCHEMBL536433 0.87 MAOB (0.68) MAOBMAOAGSTP1CA12CA1

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 1050 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151850-A1 SPIROCYCLE ACRYLAMIDES THAT STEREO- AND SITE-SELECTIVELY DEGRADE THE TRANSCRIPTIONAL AND DNA-DAMAGE RESPONSE PROTEIN ERCC3 THE SCRIPPS RESEARCH INSTITUTE (US) 2025-07-17 WO claimed
CN-119315151-A Hydrogen absorbing material, preparation method thereof and battery 深圳市豪鹏科技股份有限公司 2025-01-14 CN claimed
EP-4259610-B1 CATALYSTS FOR BENZOXAZINE LUXEMBOURG INST SCIENCE & TECH LIST (LU) 2024-09-18 EP claimed
CN-118108718-A Benzimidazolo [1,2-b ] isoquinoline compounds, and preparation and application thereof 中国科学院大连化学物理研究所 2024-05-31 CN claimed
CN-117327073-A Preparation method of chiral tetrahydroisoindolo [2,1-a ] quinoxaline compound 中国科学院大连化学物理研究所 2024-01-02 CN claimed
EP-4279278-A2 PHOTOCURABLE COMPOSITIONS FOR STEREOLITHOGRAPHY, STEREOLITHOGRAPHY METHODS USING THE COMPOSITIONS, POLYMER COMPONENTS FORMED BY THE STEREOLITHOGRAPHY METHODS, AND A DEVICE INCLUDING THE POLYMER COMPONENTS Rogers Corporation (US) 2023-11-22 EP claimed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US claimed
CN-115010704-B Mountain nuciferine 4-substituted triazole derivative and preparation method thereof 南通大学 2023-10-31 CN claimed
CN-114989151-B Mountain lotus leaf extract 5-substituted triazole derivative and preparation method thereof 南通大学 2023-10-31 CN claimed
CN-115232429-B Self-supporting flexible hydrogen eliminating material, thin film, and preparation method and application thereof 中国工程物理研究院材料研究所 2023-10-27 CN claimed
US-4721787-A CONDENSATION, REDUCTION, DEHYDRATION CIBA-GEIGY CORPORATION (US) 1988-01-26 US claimed
CN-87103507-A The preparation of propargyl oxybenzene derivative and contain the mycocide of propargyl oxybenzene derivative 1988-01-13 CN claimed
EP-0249567-A2 Propargyloxybenzene derivatives, their preparation and fungicidal compositions containing them RHONE-POULENC AGROCHIMIE (FR) 1987-12-16 EP claimed
EP-0106180-B1 METHOD FOR REINFORCING PERFLUOROELESTOMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-15 EP claimed
EP-0093620-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-07 EP claimed
US-4631247-A Acetylene compounds as shelf life improvers for photoresist compositions containing organic iodides HERCULES INCORPORATED (US) 1986-12-23 US claimed
EP-0038535-B1 STABILIZED FLUOROELASTOMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-09-19 EP claimed
EP-0010661-B1 ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-09-12 EP claimed
EP-0051187-B1 CATIONIC STYRYL DYES, THEIR PREPARATION AND THEIR USE IN DYING BASIC DYEABLE NATURAL OR SYNTHETIC SUBSTRATES BAYER AG (DE) 1984-03-28 EP claimed
US-3963826-A Low temperature, low pressure hydrogen gettering THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) 1976-06-15 US claimed