SCHEMBL49458

SCHEMBL49458

C[N+](C)c1ccccc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1899890 0.79 ALDH1A1 (0.43)
SCHEMBL3887567 0.76
SCHEMBL6247502 0.73
SCHEMBL13042644 0.73
SCHEMBL14883468 0.71 ALDH1A1 (0.38)
SCHEMBL451030 0.69 ALDH1A1 (0.47)
SCHEMBL5528197 0.69 TP53 (0.39)
SCHEMBL8510216 0.69 ALDH1A1 (0.36)
SCHEMBL9621672 0.67 ALDH1A1 (0.40)
SCHEMBL6349665 0.67 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024456-A Condensed cyclic compound, material containing the same, and organic electroluminescent device 中国科学院理化技术研究所 2023-11-10 CN claimed
US-20230026983-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-01-26 US claimed
CN-115054698-A Cyclodextrin compositions encapsulating selective ATP inhibitors and uses thereof 约翰斯·霍普金斯大学 2022-09-16 CN claimed
US-20210102132-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 US claimed
CN-112390811-A Dithia-anthrone derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-02-23 CN claimed
CN-110551054-A maleimide derivative, and preparation method and application thereof TECHNICAL INST PHYSICS & CHEMISTRY CAS 2019-12-10 CN claimed
US-10400186-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-03 US claimed
CN-106798740-A A kind of medicine for treating bacterium infection 四川省人民医院 2017-06-06 CN claimed
US-20170029730-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-02 US claimed
US-9458399-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-10-04 US claimed
US-7390504-B2 HDL-boosting combination therapy complexes JJ PHARMA, INC. (US) 2008-06-24 US claimed
US-20050236976-A1 Organic electroluminescent device RITDISPLAY CORPORATION (TW) 2005-10-27 US claimed
US-20050101561-A1 HDL-boosting combination therapy complexes JJ PHARMA, INC. 2005-05-12 US claimed
EP-0151833-B1 METHOD OF INCREASING HYDROCARBON PRODUCTION BY REMEDIAL WELL TREATMENT HALLIBURTON COMPANY (US) 1987-10-14 EP claimed
EP-0119704-A2 Method of enhancing the effectiveness of biocides HALLIBURTON COMPANY (US) 1984-09-26 EP claimed
US-4450171-A 6-/8-ACYLOXY/POLYHYDRONAPHTH-1-YL/ETHYLENE/ TETRAHYDRO-2H-PYRAN-2- ONE MERCK & CO., INC. (US) 1984-05-22 US claimed
EP-0010299-B1 PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF HYPERCHOLESTEREMIA MERCK & CO. INC. (US) 1984-02-15 EP claimed
US-4341551-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS SCHERING AG (DE) 1982-07-27 US claimed
EP-0033538-A2 6(R)-(2-(8'-acyloxy-2'-methyl-6'-methyl (or hydrogen)-polyhydronaphthyl-1')-ethyl)-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-ones, the hydroxy acid form of said pyranones, the pharmaceutically acceptable salts of said hydroxy acids, and the lower alkyl, and phenyl, dimethylamino or acetylamino substituted lower alkyl esters of said hydroxy acid, processes for preparing the same, and a pharmaceutical antihypercholesterolemic composition containing the same MERCK & CO. INC. (US) 1981-08-12 EP claimed
EP-0010299-A1 Pharmaceutical composition useful for the treatment of hypercholesteremia MERCK & CO. INC. (US) 1980-04-30 EP claimed