SCHEMBL6259253

SCHEMBL6259253

C=CCC(C(=O)[O-])(C(C)P(=O)(O)O)[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.35

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
SCHEMBL1445048 0.74 CPT2 (0.33) BBOX1
SCHEMBL6259256 0.69 BBOX1 (0.35) BBOX1
SCHEMBL9236615 0.69 CA2 (0.38) BBOX1
SCHEMBL6125441 0.68 BBOX1 (0.33) BBOX1
SCHEMBL15553114 0.65 BBOX1 (0.39) BBOX1
SCHEMBL1075301 0.64 BBOX1 (0.38) BBOX1
SCHEMBL8584513 0.64 BBOX1 (0.38) BBOX1
SCHEMBL6278699 0.64 BBOX1 (0.36) BBOX1
SCHEMBL87614 0.62 BBOX1 (0.37) BBOX1
SCHEMBL9275326 0.62 BBOX1 (0.37) BBOX1

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-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP disclosed
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed