SCHEMBL21440353

SCHEMBL21440353

O=P(O)(O)OP(=O)(O)OCCCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.57
▸ MVD P53602 4/20 0.52
▸ FDPS P14324 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LPAR3 Q9UBY5 3/20 0.43
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR2 Q9HBW0 2/20 0.43
▸ GGPS1 O95749 2/20 0.43

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
SCHEMBL7531145 0.89 BTN3A1 (0.61) BTN3A1MVDFDPSBLMTDP1
SCHEMBL1652763 0.88 BTN3A1 (0.52) BTN3A1MVDFDPSBLMTDP1
SCHEMBL28224103 0.86 BTN3A1 (0.50) BTN3A1MVDFDPSBLMTDP1
SCHEMBL379135 0.86 LPAR3 (0.57) BTN3A1MVDLPAR3LPAR1LPAR2
SCHEMBL8169756 0.86 ITPR3 (0.53) BTN3A1MVDBLMLPAR3LPAR1
SCHEMBL10878442 0.84 BTN3A1 (0.48) BTN3A1MVDBLMLPAR3LPAR1
SCHEMBL9551051 0.84 BTN3A1 (0.48) BTN3A1MVDLPAR3LPAR1LPAR2
SCHEMBL28408921 0.84 BTN3A1 (0.48) BTN3A1MVDLPAR3LPAR1LPAR2
SCHEMBL7747671 0.84 BTN3A1 (0.48) BTN3A1MVDLPAR3LPAR1LPAR2
SCHEMBL2869539 0.84 LPAR3 (0.67) BTN3A1MVDLPAR3LPAR1LPAR2

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
CN-109425673-B Improved liquid chromatography for anionic compounds 安捷伦科技有限公司 2021-10-19 — — CN disclosed
WO-2019194117-A1 POLYESTER RESIN COMPOSITION 三菱瓦斯化学株式会社 2019-10-10 — — WO disclosed
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