Hexane

Hexane

SCHEMBL20604205

CCCCCC.C[Si](C)(Cl)C1C=CC=C1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GBA1 P04062 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
SCHEMBL22418976 0.84
Hexane SCHEMBL28656218 0.69 TSHR (0.54) TSHRTHRBALDH1A1
Hexane SCHEMBL28193950 0.69 TSHR (0.54) TSHRTHRBALDH1A1
Hexane SCHEMBL27605126 0.69 TSHR (0.54) TSHRTHRBALDH1A1
SCHEMBL29020653 0.68
Hexane SCHEMBL17255142 0.66 TSHR (0.58) TSHRTHRBALDH1A1
SCHEMBL20972443 0.64
Pentane SCHEMBL27759942 0.63 TSHR (0.58) TSHRTHRBALDH1A1
Heptane SCHEMBL28068174 0.63 TSHR (0.67) TSHRTHRBALDH1A1
Hexane SCHEMBL8381999 0.62 TSHR (0.64) TSHRTHRBALDH1A1

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-20210122856-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST FOR OLEFIN POLYMERIZATION JAPAN POLYETHYLENE CORPORATION (JP) 2021-04-29 US disclosed
US-10919994-B2 Metallocene compound, catalyst component for olefin polymerization and catalyst for olefin polymerization containing the same, and method for producing olefin polymer using catalyst for olefin polymerization JAPAN POLYETHYLENE CORPORATION (JP) 2021-02-16 US disclosed
EP-3424937-B1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION INCLUDING SAME, CATALYST FOR OLEFIN POLYMERIZATION INCLUDING METALLOCENE COMPOUND, AND METHOD FOR PRODUCING OLEFIN POLYMER BY USING CATALYST FOR OLEFIN POLYMERIZATION JAPAN POLYETHYLENE CORP (JP) 2020-06-10 EP disclosed
US-20190010265-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST FOR OLEFIN POLYMERIZATION JAPAN POLYETHYLENE CORPORATION (JP) 2019-01-10 US disclosed
EP-3424937-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION INCLUDING SAME, CATALYST FOR OLEFIN POLYMERIZATION INCLUDING METALLOCENE COMPOUND, AND METHOD FOR PRODUCING OLEFIN POLYMER BY USING CATALYST FOR OLEFIN POLYMERIZATION Japan Polyethylene Corporation (JP) 2019-01-09 EP 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 (3 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-20190010265-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST FOR OLEFIN POLYMERIZATION COG1, CPNE4, COG4 TSHR 4780/4885THRB 4852/4885ALDH1A1 457/4885
US-20210122856-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST FOR OLEFIN POLYMERIZATION COG1, CPNE4, COG4 TSHR 4781/4885THRB 4854/4885ALDH1A1 413/4885
US-10919994-B2 Metallocene compound, catalyst component for olefin polymerization and catalyst for olefin polymerization containing the same, and method for producing olefin polymer using catalyst for olefin polymerization COG1, CPNE4, COG4 TSHR 4781/4885THRB 4854/4885ALDH1A1 413/4885

“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.