SCHEMBL8536686

SCHEMBL8536686

CCN(CC)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[BH4-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.56
▸ HIF1A Q16665 1/20 0.54
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRM1 P35372 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
Bromide SCHEMBL9851216 0.85 SIGMAR1 (0.58) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
Bromide SCHEMBL9239994 0.83 SIGMAR1 (0.56) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
Hydrochloric Acid SCHEMBL9549734 0.83 SIGMAR1 (0.61) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
Bromide SCHEMBL9549787 0.83 SIGMAR1 (0.61) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
SCHEMBL8532850 0.79 HIF1A (0.58) HIF1ACYP1A2CYP2D6LMNAALDH1A1
Phosphoric Acid SCHEMBL9549735 0.78 SIGMAR1 (0.54) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
Acetic Acid SCHEMBL9549728 0.76 SIGMAR1 (0.51) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
Iodide SCHEMBL9549744 0.75 HIF1A (0.58) HIF1ACYP1A2CYP2D6LMNAALDH1A1
Hydrochloric Acid SCHEMBL9549567 0.75 HIF1A (0.58) SIGMAR1HIF1ACYP1A2CYP2D6LMNA
Bromide SCHEMBL143506 0.75 HIF1A (0.58) HIF1ACYP1A2CYP2D6LMNAALDH1A1

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-5854374-A Phosphonium borohydride compound and process for producing polycarbonate using said compound NATIONAL SCIENCE COUNCIL (TW) 1998-12-29 — — US claimed
US-5854374-A Phosphonium borohydride compound and process for producing polycarbonate using said compound NATIONAL SCIENCE COUNCIL (TW) 1998-12-29 — — US disclosed
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