SCHEMBL7529088

SCHEMBL7529088

CCCCCCOC(OCCCCCC)C(CC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.44
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 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
SCHEMBL7526349 0.98 DNM1 (0.41) DNM1LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL7530675 0.91 CYP3A4 (0.33) DNM1TSHR
SCHEMBL7526143 0.87 ALDH1A1 (0.33) DNM1TSHR
Ammonia Solution, Strong SCHEMBL28111996 0.85 CYP3A4 (0.32) DNM1TSHR
SCHEMBL7533883 0.81 DNM1 (0.36) DNM1LPAR1LPAR3LPAR2
SCHEMBL7534555 0.80 ALDH1A1 (0.34) DNM1TSHRTHRB
SCHEMBL23040696 0.80 CYP3A4 (0.33) TSHRTHRB
SCHEMBL565423 0.80 DNM1 (0.41) DNM1LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL28071184 0.80 HTT (0.42) DNM1LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL23040666 0.80 TSHR (0.39) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354911-A From diacetals; catalyst composed of acid and amine HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-11 US claimed
EP-0993431-B1 METHOD FOR PRODUCING ENOL ETHERS BASF AG (DE) 2002-03-27 EP disclosed
US-6211416-B1 REACTING ACETAL OR KETAL WITH ACETYLENE OR ALLENE IN GAS PHASE IN PRESENCE OF CATALYST SELECTED FROM ZINC- OR CADMIUM-SILICON- AND OXYGEN-CONTAINING HETEROGENEOUS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0703211-B1 Process for the preparation of unsaturated ethers DEGUSSA (DE) 1999-11-10 EP disclosed
US-5576465-A DEHYDROETHERIFICATION OF ACETALS OR KETALS BY HEATING HUELS AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed
EP-0703211-A1 Process for the preparation of unsaturated ethers HÜLS AKTIENGESELLSCHAFT (DE) 1996-03-27 EP disclosed
EP-0490221-B1 Method for the production of unsaturated ethers HOECHST AG (DE) 1995-08-09 EP disclosed
US-5354911-A From diacetals; catalyst composed of acid and amine HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0490221-A2 Method for the production of unsaturated ethers HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed