SCHEMBL2370082

SCHEMBL2370082

CC(C)C(C(C)C)C(C)N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC7A5 Q01650 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
SCHEMBL13244491 1.00 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10SLC7A5
SCHEMBL18674361 1.00 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10SLC7A5
SCHEMBL712216 0.80 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL56276 0.75
SCHEMBL3609 0.75
SCHEMBL56475 0.75
SCHEMBL1997318 0.73 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10SLC7A5
Fluoride SCHEMBL25337975 0.70
Hydrochloric Acid SCHEMBL4917263 0.70
Hydrochloric Acid SCHEMBL5741254 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970174-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014159559-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
EP-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
EP-2545051-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
WO-2011112769-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed