Isobutane

Isobutane

SCHEMBL3983285

CC(C)C.CC(C)CO[PH](=O)OCC(C)C

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.31

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
SCHEMBL269435 0.97 ALDH1A1 (0.39) ALDH1A1TSHR
Ethane SCHEMBL3987243 0.94 ALDH1A1 (0.38) ALDH1A1TSHR
Benzene SCHEMBL9001603 0.89 ALDH1A1 (0.35) ALDH1A1TSHR
Octane SCHEMBL11647979 0.83 TRPM8 (0.40) TSHR
Isobutane SCHEMBL3977701 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL21549467 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8332020 0.77
SCHEMBL11697678 0.76
SCHEMBL26212788 0.76 TSHR (0.30) TSHR
SCHEMBL27862575 0.76 ALDH1A1 (0.30) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840194-B1 Gear fluids AFTON CHEMICAL CORP (US) 2009-05-13 EP disclosed
US-7410935-B2 Gear fluids AFTON CHEMICAL CORPORATION (US) 2008-08-12 US disclosed
EP-1840194-A1 Gear fluids Afton Chemical Corporation (US) 2007-10-03 EP disclosed
US-20070225182-A1 Gear fluids AFTON CHEMICAL CORPORATION 2007-09-27 US disclosed
EP-1785475-A1 A gear additive composition Afton Chemical Corporation (US) 2007-05-16 EP disclosed
US-20070105729-A1 Gear additive composition AFTON CHEMICAL CORPORATION 2007-05-10 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 (1 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-20070225182-A1 Gear fluids PHOSPHO1, F12, PIK3CA ALDH1A1 2793/4885TSHR 2476/4885

“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.