Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL28052969

CC(C)[Zn]C(C)C.CCCCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ OPRM1 P35372 1/20 0.43
▸ LMNA P02545 2/20 0.40
▸ DNM1 Q05193 4/20 0.38
▸ TRPM8 Q7Z2W7 5/20 0.38
▸ SLC22A1 O15245 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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 SCHEMBL27748725 0.76 TSHR (0.64) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL1048428 0.76 TSHR (0.64) TSHRTHRBOPRM1LMNADNM1
Heptane SCHEMBL6157290 0.72 TSHR (0.73) TSHRTHRBOPRM1LMNADNM1
Isobutane SCHEMBL28169778 0.72 TSHR (0.73) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL28579709 0.72 TSHR (0.58) TSHRTHRBOPRM1LMNADNM1
Decane SCHEMBL28143340 0.72 TSHR (0.73) TSHRTHRBOPRM1LMNADNM1
Hexane SCHEMBL11566275 0.72 TSHR (0.58) TSHRTHRBOPRM1LMNADNM1
Hexadecane SCHEMBL28252695 0.72 TSHR (0.73) TSHRTHRBOPRM1LMNADNM1
Bromide SCHEMBL28638255 0.71 — —
SCHEMBL28900580 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103788236-B Rare earth catalyst and preparation method thereof and polyisoprene and preparation method thereof SINOPEC CORP. (CN) 2016-03-30 — — CN disclosed