SCHEMBL6560036

SCHEMBL6560036

C=C(C)C(=O)OC12CC3(OC(=O)C(=C)C)CC(OC(=O)C(=C)C)(C1)CC(OC(=O)C(=C)C)(C2)C3

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ELANE P08246 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL30730741 0.89 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10
SCHEMBL75214 0.87 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL12432887 0.87 ALDH1A1 (0.39) ALDH1A1TSHRTHRBHSD17B10
SCHEMBL25616399 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6560077 0.85 ALDH1A1 (0.38) ALDH1A1TSHRELANE
SCHEMBL22176772 0.85 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL5900724 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL18314258 0.84 ALDH1A1 (0.34) ALDH1A1KMT2A
SCHEMBL1734908 0.83 ALDH1A1 (0.37) ALDH1A1TSHRELANE
SCHEMBL678207 0.83 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10

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
US-20210115214-A1 POLYMER AEROGELS FABRICATED WITHOUT SOLVENT EXCHANGE Blueshift Materials, Inc. (US) 2021-04-22 US disclosed
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed