Hexane

Hexane

SCHEMBL28436613

CCCCCC.CCS(=O)(=O)Cl

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
FAAH O00519 2/20 0.46
ALDH1A1 P00352 1/20 0.42
CA2 P00918 10/20 0.42
CA1 P00915 9/20 0.42
CA9 Q16790 7/20 0.42
CA12 O43570 4/20 0.41
CA7 P43166 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.40

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
Heptane SCHEMBL28128238 0.94 TSHR (0.50) TSHRTHRBFAAHALDH1A1CA2
Hexane SCHEMBL1937959 0.89 TSHR (0.50) TSHRTHRBFAAHALDH1A1CA2
SCHEMBL28216244 0.88 TSHR (0.63) TSHRTHRBFAAHALDH1A1CA2
SCHEMBL7730745 0.86 FAAH (0.54) TSHRTHRBFAAHCA2
Hexadecane SCHEMBL2406023 0.86 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL5040348 0.86 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Dodecane SCHEMBL5440620 0.86 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL11411799 0.86 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL9501386 0.86 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Tridecane SCHEMBL11411803 0.86 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111298662-B Preparation method of organic metal bridged graphene oxide strong-charge composite super-nanofiltration membrane 山东高科联合环保科学研究院有限公司 2022-05-13 CN claimed
CN-111298662-A Preparation method of organic metal bridged graphene oxide strong-charge composite super-nanofiltration membrane 山东高科联合环保科学研究院有限公司 2020-06-19 CN claimed
CN-111298662-B Preparation method of organic metal bridged graphene oxide strong-charge composite super-nanofiltration membrane 山东高科联合环保科学研究院有限公司 2022-05-13 CN disclosed
CN-111298662-A Preparation method of organic metal bridged graphene oxide strong-charge composite super-nanofiltration membrane 山东高科联合环保科学研究院有限公司 2020-06-19 CN disclosed