Hexane

Hexane

SCHEMBL25299261

CC.CCCCCC.OP(O)(O)=S.OP(O)(O)=S.[Mo]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.50
LPAR2 Q9HBW0 4/20 0.50
FDPS P14324 10/20 0.44
GGPS1 O95749 7/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
Hexane SCHEMBL28413977 0.97 LPAR3 (0.52) LPAR3LPAR2FDPSTSHRTHRB
Hexane SCHEMBL3128124 0.97 LPAR3 (0.52) LPAR3LPAR2FDPSTSHRTHRB
SCHEMBL28533054 0.93 LPAR3 (0.56) LPAR3LPAR2FDPSGGPS1TSHR
Tridecane SCHEMBL5319320 0.93 LPAR3 (0.56) LPAR3LPAR2FDPSGGPS1TSHR
SCHEMBL29164627 0.93 LPAR3 (0.56) LPAR3LPAR2FDPSGGPS1TSHR
Dodecane SCHEMBL28904661 0.93 LPAR3 (0.56) LPAR3LPAR2FDPSGGPS1TSHR
Hexane SCHEMBL6700386 0.93 LPAR3 (0.55) LPAR3LPAR2FDPSTSHRTHRB
Hexane SCHEMBL1975489 0.93 LPAR3 (0.55) LPAR3LPAR2FDPSTSHRTHRB
Hexane SCHEMBL6700086 0.93 LPAR3 (0.55) LPAR3LPAR2FDPSTSHRTHRB
Hexane SCHEMBL1971634 0.93 LPAR3 (0.55) LPAR3LPAR2FDPSTSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552980-B2 Oil soluble molybdenum complexes as high temperature fouling inhibitors ECOLAB USA INC (US) 2026-02-17 US claimed
US-11767596-B2 Oil soluble molybdenum complexes for inhibiting high temperature corrosion and related applications in petroleum refineries ECOLAB USA INC. (US) 2023-09-26 US claimed
US-11697756-B2 Oil soluble molybdenum complexes as high temperature fouling inhibitors ECOLAB USA INC. (US) 2023-07-11 US claimed

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-12552980-B2 Oil soluble molybdenum complexes as high temperature fouling inhibitors DSG1, SLC40A1, SLC9A5 LPAR3 4768/4885LPAR2 4615/4885FDPS 88/4885
US-11697756-B2 Oil soluble molybdenum complexes as high temperature fouling inhibitors NOTUM, FDFT1, MGLL LPAR3 4759/4885LPAR2 4730/4885FDPS 76/4885

“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.