Butane

Butane

SCHEMBL3799640

CC(C)(C)OC(C)(C)C.CCCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 3/20 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
Butane SCHEMBL4463544 0.93 ALDH1A1 (0.38) TSHRTDP1ALDH1A1
Propane SCHEMBL1683354 0.87 TSHR (0.36) TSHRTDP1ALDH1A1
Hexane SCHEMBL7875362 0.85 TSHR (0.47) TSHRALDH1A1
Dodecane SCHEMBL20299936 0.82 TSHR (0.53) TSHRALDH1A1
Undecane SCHEMBL28267168 0.82 TSHR (0.53) TSHRALDH1A1
SCHEMBL28041774 0.82 TSHR (0.37) TSHRTDP1ALDH1A1
Hexane SCHEMBL1554946 0.82 TSHR (0.44) TSHRALDH1A1
Pentane SCHEMBL12271939 0.82 TSHR (0.47) TSHRTDP1ALDH1A1
Heptane SCHEMBL7940831 0.82 TSHR (0.53) TSHRALDH1A1
Octane SCHEMBL20299932 0.82 TSHR (0.53) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171326-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
WO-2023171325-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
US-11186531-B2 Production method for alkene KUREHA CORPORATION (JP) 2021-11-30 US disclosed
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE KUREHA CORPORATION (JP) 2021-02-18 US disclosed
WO-2019176151-A1 PRODUCTION METHOD FOR ALKENE 株式会社クレハ 2019-09-19 WO disclosed
WO-2010144080-A1 IMPROVED CATALYST FLOW BASF CATALYSTS LLC (US) 2010-12-16 WO disclosed
US-7638585-B2 Catalyst flow BASF CATALYSTS, LLC (US) 2009-12-29 US disclosed
US-20090286942-A1 CATALYST FLOW BASF CATALYSTS LLC (US) 2009-11-19 US disclosed
US-7135531-B2 Spherical catalyst for olefin polymerization BASF CATALYSTS LLC (US) 2006-11-14 US disclosed
US-20050176900-A1 Spherical catalyst for olefin polymerization ENGELHARD CORPORATION 2005-08-11 US disclosed
US-6365694-B1 COPOLYMERS OF VINYLCYCLOHEXANE WITH SYNDIOTACTIC CONFIGURATION IN WHICH THE QUANTITY OF DIADS IS GREATER THAN 50.1% WITH HIGH TRANSPARENCY, LOW BIREFRINGENCE AND HIGH HEAT DEFECTION TEMPERATURE, AND CAN BE USED FOR MOLDINGS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0646103-B1 BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION AMOCO CORP (US) 1997-08-27 EP disclosed
EP-0646103-A4 BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. AMOCO CORP (US) 1995-08-09 EP disclosed
EP-0646103-A1 BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. AMOCO CORP (US) 1995-04-05 EP disclosed
WO-1993010063-A1 BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION AMOCO CORPORATION (US) 1993-05-27 WO disclosed
US-5068490-A Alkyl tert-butyl ether boron trifluoride complex as a catalyst AMOCO CORPORATION (US) 1991-11-26 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-20210047252-A1 PRODUCTION METHOD FOR ALKENE ALK, ALKBH3, ALKBH1 TSHR 3005/4885TDP1 515/4885ALDH1A1 299/4885
US-11186531-B2 Production method for alkene ALK, ALKBH3, ALKBH1 TSHR 3005/4885TDP1 515/4885ALDH1A1 299/4885

“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.