SCHEMBL904673

SCHEMBL904673

[O-][n+]1ccccc1CO

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
SCHEMBL30473425 1.00
Methane SCHEMBL8177743 0.98 ALDH1A1 (0.47)
SCHEMBL6357879 0.82 ALDH1A1 (0.46)
SCHEMBL904632 0.78
SCHEMBL31703749 0.76
SCHEMBL9291102 0.76
SCHEMBL1046165 0.76
SCHEMBL8693725 0.76
SCHEMBL904420 0.76
Hydrochloric Acid SCHEMBL4254927 0.76 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US claimed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP claimed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
JP-2164813-A None JP disclosed
EP-4185587-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-05-31 EP disclosed
WO-2016079502-A1 METAL CHELATING COMPOUNDS FOR USE IN TREATING DISEASES UNIVERSITY OF NORTHUMBRIA (GB) 2016-05-26 WO disclosed
WO-2016079502-A1 METAL CHELATING COMPOUNDS FOR USE IN TREATING DISEASES UNIVERSITY OF NORTHUMBRIA (GB) 2016-05-26 WO disclosed
EP-2546242-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2016-03-30 EP disclosed
EP-2457903-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2016-01-13 EP disclosed
US-20150375025-A1 METHOD OF DECONTAMINATING CHEMICAL AGENT VX USING A PORTABLE CHEMICAL DECONTAMINATION SYSTEM TDA RESEARCH INC (US) 2015-12-31 US disclosed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US disclosed
US-4237275-A Process for producing hydrazone derivatives of pyridinaldehydes CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4214094-A ANTILIPEMIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-07-22 US disclosed
US-4071527-A Certain benzothiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-01-31 US disclosed
US-4036847-A ANTIBACTERIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-07-19 US disclosed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US disclosed