SCHEMBL5613849

SCHEMBL5613849

CCCCC(C)NCCC#N

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ADRB2 P07550 8/20 0.36
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL5595515 0.94 TSHR (0.48) TSHRADRB2ADH1BADH1CADH1A
SCHEMBL5595472 0.94 TSHR (0.48) TSHRADRB2ADH1BADH1CADH1A
SCHEMBL5595467 0.94 TSHR (0.48) TSHRADRB2ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL5595677 0.92 TSHR (0.46) TSHRADRB2ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL5595856 0.92 TSHR (0.46) TSHRADRB2ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL5595674 0.92 TSHR (0.46) TSHRADRB2ADH1BADH1CADH1A
SCHEMBL31008640 0.80 ADRB2 (0.43) TSHRADRB2ADH1BADH1CADH1A
SCHEMBL4551198 0.80 ADRB2 (0.39) TSHRADRB2ADH1BADH1CADH1A
SCHEMBL11197516 0.79
SCHEMBL24337442 0.78 ADRB2 (0.42) TSHRADRB2ADH1BADH1CADH1A

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
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO claimed
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO disclosed
WO-2007013097-A1 IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM NATCO PHARMA LIMITED (IN) 2007-02-01 WO disclosed
US-4025507-A OPTICAL BRIGHTENERS FOR PAPER SANDOZ LTD. (CH) 1977-05-24 US disclosed