Acetylguanidinium

Acetylguanidinium

SCHEMBL8073789

CC(=O)NC(=N)N.O=P(O)(O)O

nearest known ligand 0.48

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Acetylguanidinium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.48
TAS2R38 P59533 1/20 0.44
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KDM4E B2RXH2 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 1/20 0.30

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
Acetylguanidinium SCHEMBL79062 0.89
Acetylguanidinium SCHEMBL28322882 0.87
Acetylguanidinium SCHEMBL28647544 0.84 CRBN (0.52) CRBNTAS2R38LMNAALOX15BLM
Acetylguanidinium SCHEMBL28298437 0.82 CRBN (0.50) CRBNTAS2R38LMNAALOX15BLM
Biguanide SCHEMBL27297322 0.81 CA4 (0.30)
Acetylguanidinium SCHEMBL27551654 0.80 CRBN (0.48) CRBNTAS2R38LMNAALOX15BLM
Phosphoric Acid SCHEMBL868319 0.79 CRBN (0.39) CRBNLMNABLMPMP22CA2
Phosphoric Acid SCHEMBL29143142 0.77 CRBN (0.38) CRBNLMNABLMPMP22CA2
Phosphoric Acid SCHEMBL9418072 0.75 CRBN (0.36) CRBNLMNABLMPMP22CA2
Phosphoric Acid SCHEMBL21177168 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684250-B1 New poly(pentaerythrityl diphosphonate) and its use in self-extinguishing thermoplastic compositions GREAT LAKES CHEMICAL ITALIA (IT) 2000-09-27 EP claimed
US-5597855-A FIREPROOFING ENIRICERCHE S.P.A. (IT) 1997-01-28 US claimed
EP-0684250-A1 New poly(pentaerythrityl diphosphonate) and its use in self-extinguishing termoplastic compositions GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1995-11-29 EP claimed
EP-0684250-B1 New poly(pentaerythrityl diphosphonate) and its use in self-extinguishing thermoplastic compositions GREAT LAKES CHEMICAL ITALIA (IT) 2000-09-27 EP disclosed
US-5597855-A FIREPROOFING ENIRICERCHE S.P.A. (IT) 1997-01-28 US disclosed
EP-0684250-A1 New poly(pentaerythrityl diphosphonate) and its use in self-extinguishing termoplastic compositions GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1995-11-29 EP disclosed