SCHEMBL30906013

SCHEMBL30906013

CCCCCCC(C)O[PH2]=O.[Ni]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ADH1B P00325 1/20 0.38
▸ ADH1C P00326 1/20 0.38
▸ ADH1A P07327 1/20 0.38
▸ ADH4 P08319 1/20 0.38
▸ ADH7 P40394 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SMPD1 P17405 3/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ NAAA Q02083 1/20 0.37
▸ GPR84 Q9NQS5 2/20 0.36
▸ FDPS P14324 2/20 0.36

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
SCHEMBL32660787 0.98 FAAH (0.43) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL11495718 0.98 FAAH (0.43) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL2776098 0.98 FAAH (0.43) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL29551403 0.96 FAAH (0.42) FAAHCNR1CNR2ADH1BADH1C
SCHEMBL30827419 0.89 — —
SCHEMBL10941088 0.78 SMPD1 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1230483 0.77 DNM1 (0.41) SMPD1GPR84FDPS
SCHEMBL32660784 0.75 SMPD1 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8847130 0.74 DNM1 (0.37) OPRM1SMPD1GPR84FDPS
SCHEMBL31077736 0.72 OPRM1 (0.34) OPRM1SMPD1GPR84FDPS

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-113825777-B Modified high cis polybutadiene polymers, related methods and tire components 株式会社普利司通 2025-01-28 — — CN disclosed
CN-118574860-A Hydrogenated polybutadiene polymer and rubber composition containing the same 株式会社普利司通 2024-08-30 — — CN disclosed
CN-113906058-B Modified high cis polybutadiene polymers, related methods and rubber compositions 普利司通美国轮胎运营有限责任公司 2024-05-17 — — CN disclosed
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