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Zinc Ion

Zinc Ion

SCHEMBL20299534

CC(C)(C)c1cc(C(OP(=O)([O-])[O-])c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.[Zn+2]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.41
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33

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
SCHEMBL20299511 0.96 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL20299526 0.96 HMGCR (0.41) HMGCRGABRA1GABRB2
Water SCHEMBL20299523 0.96 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL29108863 0.80 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL25241826 0.79 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL20299546 0.79 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL19858472 0.79 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL20299555 0.79 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL28520151 0.75 HMGCR (0.38) HMGCRGABRA1GABRB2
SCHEMBL27171245 0.73 HMGCR (0.37) HMGCRGABRA1GABRB2

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
EP-3559102-A1 POLY(BUTYLENE TEREPHTHALATE) COMPOSITION FOR ARTICLES HAVING HIGH DIMENSIONAL STABILITY SABIC Global Technologies B.V. (NL) 2019-10-30 — — EP disclosed
WO-2018115293-A1 POLY(BUTYLENE TEREPHTHALATE) COMPOSITION FOR ARTICLES HAVING HIGH DIMENSIONAL STABILITY SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-06-28 — — WO disclosed