SCHEMBL22375239

SCHEMBL22375239

CCCCNCCCCCCCCN(CCCC)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ADH7 P40394 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX1 P07099 4/20 0.34
ADH4 P08319 1/20 0.34
DNM1 Q05193 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PAOX Q6QHF9 1/20 0.33

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
SCHEMBL26502986 0.83 DNM1 (0.48) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL26502982 0.83 DNM1 (0.48) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL23988074 0.82 HRH4 (0.33) TSHRALDH1A1EPHX1DNM1HRH4
SCHEMBL10705836 0.80 DNM1 (0.50) TSHRALDH1A1DNM1
SCHEMBL14997774 0.80 DNM1 (0.50) TSHRALDH1A1DNM1
SCHEMBL26264322 0.80 DNM1 (0.50) TSHRALDH1A1DNM1
SCHEMBL12243063 0.80 DNM1 (0.43) TSHRALDH1A1DNM1
Nonane SCHEMBL28466423 0.80 DNM1 (0.50) TSHRALDH1A1DNM1
SCHEMBL14997773 0.80 DNM1 (0.50) TSHRALDH1A1DNM1
SCHEMBL28190831 0.80 DNM1 (0.50) TSHRALDH1A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203708-B2 Gas generating compositions SAUDI ARABIAN OIL COMPANY (SA) 2021-12-21 US disclosed
US-10934468-B2 Storable gas generating compositions SAUDI ARABIAN OIL COMPANY (SA) 2021-03-02 US disclosed
US-20210047552-A1 GAS GENERATING COMPOSITIONS ARAMCO SERVICES COMPANY 2021-02-18 US disclosed
US-20200270505-A1 STORABLE GAS GENERATING COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2020-08-27 US disclosed
US-20200270502-A1 GAS GENERATING COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2020-08-27 US disclosed