SCHEMBL3693648

SCHEMBL3693648

CCCCCCCCCCCC1NCC(C(Cl)C(=O)O)N1CCO.CCCCCCCCCCCC1NCCN1CCO

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
SCHEMBL2018200 1.00
Chloroacetic Acid SCHEMBL2110484 0.79 ALOX5 (0.35)
Chloroacetic Acid SCHEMBL8820557 0.79 ALOX5 (0.35)
SCHEMBL27506140 0.79 GBA1 (0.35)
SCHEMBL8430780 0.79 GBA1 (0.35)
SCHEMBL9133475 0.79 GBA1 (0.35)
SCHEMBL9814322 0.79 GBA1 (0.35)
Hydrochloric Acid SCHEMBL29572473 0.78 GNAO1 (0.37)
SCHEMBL11465123 0.72 FNTA (0.35)
SCHEMBL11465121 0.71 S1PR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903069-B1 NOVEL POLYMER AND METHOD OF MEASURING CHOLESTEROL THEREWITH WAKO PURE CHEM IND LTD (JP) 2015-08-12 EP disclosed
EP-2239281-A2 Novel polymer and method for determining cholesterol using the same Wako Pure Chemical Industries, Ltd. (JP) 2010-10-13 EP disclosed
EP-1903069-A1 NOVEL POLYMER AND METHOD OF MEASURING CHOLESTEROL THEREWITH Wako Pure Chemical Industries, Ltd. (JP) 2008-03-26 EP disclosed