Hexane

Hexane

SCHEMBL21963542

CC#N.CCCCCC.CO.ClCCl

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
AKR1B1 P15121 1/20 0.32

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 SCHEMBL287327 0.94 TSHR (0.47) TSHRALDH1A1TDP1THRBSMN1; SMN2
Hexane SCHEMBL2220968 0.92 TSHR (0.41) TSHRALDH1A1TDP1THRBSMN1; SMN2
Heptane SCHEMBL906776 0.91 TSHR (0.53) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL23782662 0.91 TSHR (0.47) TSHRALDH1A1THRBSMN1; SMN2LMNA
Hexane SCHEMBL22689637 0.91 TSHR (0.47) TSHRALDH1A1THRBSMN1; SMN2LMNA
Pentane SCHEMBL28235149 0.88 TSHR (0.47) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL27549779 0.87 TSHR (0.53) TSHRALDH1A1TDP1THRBSMN1; SMN2
Butyl Alcohol SCHEMBL8968575 0.87 ALDH1A1 (0.55) TSHRALDH1A1TDP1SMN1; SMN2LMNA
Hexane SCHEMBL20554728 0.86 AKR1B1 (0.39) TSHRALDH1A1TDP1HSD17B10MEN1
Hexane SCHEMBL15911551 0.85 TSHR (0.37) TSHRALDH1A1TDP1CES2CES1

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
US-20220007696-A1 HIGH QUALITY CULTURED MEAT, COMPOSITIONS AND METHODS FOR PRODUCING SAME ALEPH FARMS LTD. (IL) 2022-01-13 US disclosed
EP-3880000-A1 HIGH QUALITY CULTURED MEAT, COMPOSITIONS AND METHODS FOR PRODUCING SAME Aleph Farms Ltd. (IL) 2021-09-22 EP disclosed
CN-113038841-A High-quality cultured meat, composition, and method for producing high-quality cultured meat, composition 阿利夫农场公司 2021-06-25 CN disclosed
WO-2020100143-A1 HIGH QUALITY CULTURED MEAT, COMPOSITIONS AND METHODS FOR PRODUCING SAME ALEPH FARMS LTD. (IL) 2020-05-22 WO disclosed