Sugi Predict

Sugi Predict / Compounds / Isobutane

Isobutane

Isobutane

SCHEMBL11719082

CC(C)C.CC(C)C.CCC.NC(O)=S.NC(O)=S

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 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
Isobutane SCHEMBL9349479 0.89 TSHR (0.42) TSHRATMATRCA12CA1
Propane SCHEMBL7566447 0.89 TSHR (0.42) TSHRATMATRCA12CA1
Propane SCHEMBL7026177 0.89 TSHR (0.42) TSHRATMATRCA12CA1
Propane SCHEMBL11720454 0.89 TSHR (0.42) TSHRATMATRCA12CA1
Propane SCHEMBL11778447 0.85 TSHR (0.39) TSHRATMATR
SCHEMBL27705562 0.83 TSHR (0.39) TSHRATMATRCA12CA1
Propane SCHEMBL27770056 0.81 TSHR (0.46) TSHRATMATR
Isopropyl Alcohol SCHEMBL9432838 0.80 ALDH1A1 (0.38) TSHR
Propane SCHEMBL11675067 0.79 ALDH1A1 (0.35) TSHRATMATR
Butane SCHEMBL11632506 0.79 TSHR (0.33) TSHRATMATRCA12CA1

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-4029687-A HERBICIDES CIBA-GEIGY AG (CH) 1977-06-14 — — US disclosed
US-4004914-A HERBICIDES CIBA-GEIGY AG (CH) 1977-01-25 — — US disclosed
US-3951641-A Use of N-(4-isopropoxy-3-chlorophenyl)-N'-methyl-N'-methoxyurea for control of weeds in maize cultures CIBA-GEIGY AG (CH) 1976-04-20 — — US disclosed