Methenamine

Methenamine

SCHEMBL20164091

C1N2CN3CN1CN(C2)C3.C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Co+3]

nearest known ligand 0.38

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL307860 0.82 ALDH1A1 (0.44) CYP2C9ALDH1A1
Lithium Ion SCHEMBL7103420 0.79 ALDH1A1 (0.41) CYP2C9ALDH1A1
SCHEMBL21810848 0.79 ALDH1A1 (0.41) CYP2C9ALDH1A1
Tetramethylammonium Ion SCHEMBL7104712 0.74 APOBEC3A (0.39) ALDH1A1
SCHEMBL4541964 0.74 TDP1 (0.42) ALDH1A1
Biphenyl SCHEMBL8637370 0.73 ALDH1A1 (0.60) CYP2C9HIF1AALDH1A1
Triphenylene SCHEMBL23671720 0.67 CYP2C9 (0.44) CYP2C9HIF1AALDH1A1
Methenamine SCHEMBL11376028 0.64 CYP2A6 (0.57) CYP2C9HIF1AALDH1A1
SCHEMBL20597141 0.64 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7029427 0.64 TSHR (0.47) ALDH1A1

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-10829593-B2 Triazine ring-containing polymer, and composition for film formation use containing same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-11-10 US disclosed
US-20180142064-A1 TRIAZINE RING-CONTAINING POLYMER, AND COMPOSITION FOR FILM FORMATION USE CONTAINING SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-24 US disclosed