Fosfocreatine

Fosfocreatine

SCHEMBL3026727

CN(CC(=O)[O-])C(N)=NP(=O)([O-])[O-].[K+].[K+].[K+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

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

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Fosfocreatine SCHEMBL612834 0.96 — —
Fosfocreatine SCHEMBL9319928 0.96 — —
Fosfocreatine SCHEMBL30173229 0.84 — —
Fosfocreatine SCHEMBL1640494 0.82 MVD (0.38) —
Fosfocreatine SCHEMBL30031412 0.82 MVD (0.38) —
Fosfocreatine SCHEMBL30930087 0.81 MVD (0.37) —
Fosfocreatine SCHEMBL31181876 0.81 MVD (0.37) —
Creatine SCHEMBL9568829 0.74 NOS3 (0.39) —
Creatine SCHEMBL1065566 0.70 NOS3 (0.39) —
Creatine SCHEMBL939498 0.69 CA1 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334095-B2 Compositions and methods for monosynaptic transport SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-12-18 — — US disclosed
US-20100304364-A1 Compositions and methods for monosynaptic transport THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2010-12-02 — — US disclosed
US-7785874-B2 Compositions and methods for monosynaptic transport THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-08-31 — — US disclosed
US-20080193918-A1 Compositions and methods for monosynaptic transport THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2008-08-14 — — US disclosed
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