Undecane

Undecane

SCHEMBL28043835

CCCCCCCCCCC.COC

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 6/20 0.50
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
Heptane SCHEMBL447146 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL4441366 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Hexadecane SCHEMBL27375271 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL3182487 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL5498517 0.95
Decane SCHEMBL3423072 0.89 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
Hexadecane SCHEMBL23499901 0.85 TSHR (1.00) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL23499900 0.85 TSHR (1.00) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL10948326 0.85 TSHR (1.00) TSHRTHRBDNM1ALDH1A1LMNA
Tetradecane SCHEMBL23924271 0.85 TSHR (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110446770-A Reversible thermal discoloration composition and reversible thermal discoloration microcapsule pigment containing the same PILOT INK CO LTD 2019-11-12 CN disclosed
CN-106459637-B Reversible thermochromic seal ink composition and seal 株式会社百乐 2019-10-01 CN disclosed
CN-106459637-A Ink composition for reversibly thermochromic stamps and stamp 株式会社百乐 2017-02-22 CN disclosed
CN-105143367-A Solid writing material PILOT CORP 2015-12-09 CN disclosed