SCHEMBL21831402

SCHEMBL21831402

CCOP(=O)(O)OP(=O)(O)O.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.52
PPARD Q03181 1/20 0.48
MVD P53602 3/20 0.47
TSHR P16473 1/20 0.43
FDPS P14324 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FNTA P49354 3/20 0.41
PGGT1B P53609 2/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL8414470 1.00 BTN3A1 (0.52) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL27571820 1.00 BTN3A1 (0.52) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL609969 0.97 BTN3A1 (0.54) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL29221154 0.95 BTN3A1 (0.52) BTN3A1PPARDMVDTSHRFDPS
Phosphine SCHEMBL28287398 0.95 BTN3A1 (0.52) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL29046842 0.95 BTN3A1 (0.52) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL8078110 0.93 BTN3A1 (0.50) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL28480515 0.91 BTN3A1 (0.48) BTN3A1PPARDMVDTSHRFDPS
SCHEMBL627986 0.87 PPARD (0.54) BTN3A1PPARDMVDTSHRTDP1
Ammonia Solution, Strong SCHEMBL628386 0.84 PPARD (0.52) BTN3A1PPARDMVDTSHRTDP1

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
CN-112867922-B Method for predicting effect of immune checkpoint inhibitor 国立大学法人长崎大学 2024-07-16 CN disclosed
CN-112867922-A Method for predicting effect of immune checkpoint inhibitor 国立大学法人长崎大学 2021-05-28 CN disclosed
WO-2020071354-A1 METHOD FOR PREDICTING EFFECT OF IMMUNE CHECKPOINT INHIBITOR 国立大学法人 長崎大学 2020-04-09 WO disclosed