Trimethylammonium

Trimethylammonium

SCHEMBL7168741

CCCCN(CCCC)CCCC.CCN(CC)CC.CN(C)C

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
DNM1 Q05193 3/20 0.39
KCNH2 Q12809 5/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL599237 0.94 CA12 (0.42) CA12CA1CA9KCNH2PLA2G1B
Ammonia Solution, Strong SCHEMBL28160549 0.91 CA12 (0.41) CA12CA1CA9KCNH2PLA2G1B
Trimethylammonium SCHEMBL11418010 0.91 DNM1 (0.45) CA12CA1CA9DNM1KDM5A
Trimethylammonium SCHEMBL28916525 0.85 DNM1 (0.55) CA12CA1CA9DNM1KCNH2
SCHEMBL16577643 0.85 DNM1 (0.41) CA12CA1CA9DNM1KCNH2
SCHEMBL217114 0.84 KCNH2 (0.47) CA12CA1CA9KCNH2PLA2G1B
SCHEMBL22725 0.84
SCHEMBL27566038 0.84 TSHR (0.46) CA12CA1CA9DNM1KDM5A
SCHEMBL3904839 0.84 TSHR (0.46) CA12CA1CA9DNM1KDM5A
SCHEMBL896 0.84 TSHR (0.46) CA12CA1CA9DNM1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569869-B2 In crop protection and in the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed
US-20020143184-A1 Annulated azole derivatives useful as microbicidal agents ASSMANN LUTZ (DE) 2002-10-03 US disclosed
US-6387922-B2 A BICYCLIC TRIAZOLE OR DIAZOLE CONTAINING SULFONYL OR PHOSPHINE OXIDE OR THIOPHOSPHORUS DERIVATIVES; USEFUL AS BACTERICIDE AND FUNGICIDE IN CROP PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-20010029237-A1 Annulated azole derivatives useful as microbicidal agents ASSMANN LUTZ (DE) 2001-10-11 US disclosed
US-6214840-B1 FUNGICIDES; BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010029237-A1 Annulated azole derivatives useful as microbicidal agents ARG1, MSR1, ARG2 CA12 646/4885CA1 121/4885CA9 40/4885
US-20020143184-A1 Annulated azole derivatives useful as microbicidal agents ARG1, MSR1, ARG2 CA12 646/4885CA1 121/4885CA9 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.