Decane

Decane

SCHEMBL28596369

CCCCCCCCCC.CN(C)C.CN(C)C

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.73
THRB P10828 1/20 0.73
DNM1 Q05193 8/20 0.62
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A1 O15245 1/20 0.50

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
Tetradecane SCHEMBL27634629 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Hexadecane SCHEMBL738410 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL27354631 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Trimethylammonium SCHEMBL18106783 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL639577 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL738409 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Pentadecane SCHEMBL27367365 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Dodecane SCHEMBL4314349 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL28596371 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Trimethylammonium SCHEMBL27943893 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108495816-B High charge density metalloaluminophosphate molecular sieves 环球油品公司 2022-05-03 CN claimed
CN-108473328-B High charge density metal phosphate molecular sieves 环球油品公司 2021-12-07 CN claimed
CN-108602053-B High charge density metal phosphate molecular sieves 环球油品公司 2021-09-24 CN claimed
CN-108698030-B High charge density metallosilicophosphate molecular sieves 环球油品公司 2021-06-29 CN claimed
CN-108495816-B High charge density metalloaluminophosphate molecular sieves 环球油品公司 2022-05-03 CN disclosed
CN-108602053-B High charge density metal phosphate molecular sieves 环球油品公司 2021-09-24 CN disclosed
CN-108698030-B High charge density metallosilicophosphate molecular sieves 环球油品公司 2021-06-29 CN disclosed