Sugi Predict

Sugi Predict / Compounds / SCHEMBL9397368

SCHEMBL9397368

SCHEMBL9397368

C=CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.55
▸ FNTA P49354 8/20 0.44
▸ FNTB P49356 6/20 0.44
▸ PGGT1B P53609 5/20 0.44

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
SCHEMBL29255678 1.00 BTN3A1 (0.55) BTN3A1FNTAFNTBPGGT1B
SCHEMBL4553437 1.00 BTN3A1 (0.55) BTN3A1FNTAFNTBPGGT1B
Allyl Pyrophosphate SCHEMBL1075959 0.96 BTN3A1 (0.59) BTN3A1FNTAFNTBPGGT1B
Allyl Pyrophosphate SCHEMBL9482750 0.94 BTN3A1 (0.57) BTN3A1FNTAFNTBPGGT1B
Allyl Pyrophosphate SCHEMBL28997349 0.94 BTN3A1 (0.57) BTN3A1FNTAFNTBPGGT1B
Allyl Pyrophosphate SCHEMBL4052782 0.92 BTN3A1 (0.55) BTN3A1FNTAFNTBPGGT1B
SCHEMBL6695477 0.86 BTN3A1 (0.42) BTN3A1FNTAFNTBPGGT1B
SCHEMBL28997347 0.84 BTN3A1 (0.43) BTN3A1FNTAFNTBPGGT1B
SCHEMBL174096 0.82 BTN3A1 (0.40) BTN3A1FNTAFNTBPGGT1B
SCHEMBL14941354 0.82 BTN3A1 (0.44) BTN3A1FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334485-A Containing n-heterocyclic ring THE CHROMALINE CORPORATION (US) 1994-08-02 — — US claimed
US-5334485-A Containing n-heterocyclic ring THE CHROMALINE CORPORATION (US) 1994-08-02 — — US disclosed