SCHEMBL9749180

SCHEMBL9749180

O=C1C=CC=CCCC1

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
SCHEMBL25497697 1.00
SCHEMBL9749165 1.00
Hydrochloric Acid SCHEMBL30586737 0.98 ALDH1A1 (0.65)
SCHEMBL9810863 0.98 ALDH1A1 (0.65)
SCHEMBL6232481 0.98 ALDH1A1 (0.65)
SCHEMBL9810860 0.98 ALDH1A1 (0.65)
SCHEMBL9810859 0.98 ALDH1A1 (0.65)
SCHEMBL3679693 0.95 ALDH1A1 (0.62)
SCHEMBL15948181 0.93 ALDH1A1 (0.58)
SCHEMBL18691951 0.91 ALDH1A1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227775-B2 Modified template-independent DNA polymerase THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2025-02-18 US claimed
US-20240083926-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-03-14 US disclosed
WO-2022132048-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-23 WO disclosed
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed
US-4034047-A CONDENSED POLYACRYLONITRILE TRANSITION METAL COMPLEX CATALYST SUNTECH, INC. (US) 1977-07-05 US disclosed