SCHEMBL7526143

SCHEMBL7526143

CCCCC(CC)C(OCCC)OCCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL28111996 0.98 CYP3A4 (0.32) ALDH1A1CYP3A4TDP1CA2CA1
SCHEMBL7530675 0.91 CYP3A4 (0.33) ALDH1A1CYP3A4TDP1CA2CA1
SCHEMBL7526349 0.89 DNM1 (0.41) ALDH1A1CYP3A4TDP1CA2CA1
SCHEMBL23040696 0.88 CYP3A4 (0.33) CYP3A4TSHRMMP9MMP8MMP14
SCHEMBL7529088 0.87 DNM1 (0.44) TSHRDNM1
SCHEMBL7534555 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4TDP1CA2CA1
SCHEMBL23040666 0.84 TSHR (0.39) CYP3A4TSHRMMP9MMP8MMP14
SCHEMBL23040683 0.83 CYP3A4 (0.31) CYP3A4MMP9MMP8MMP14
SCHEMBL23040677 0.82 CYP3A4 (0.33) CYP3A4MMP9MMP8MMP14
SCHEMBL23040694 0.81 CYP3A4 (0.32) CYP3A4CA2CA1TSHRMMP9

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 14 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
CN-110317212-A The synthesis of polycyclic carbamoylpyridone compound 吉利德科学公司 2019-10-11 CN disclosed
CN-106470975-B Synthesis of polycyclic carbamoylpyridone compounds 吉利德科学公司 2019-04-26 CN disclosed
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
US-6211401-B1 Process for preparing polytetrahydrofuran BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0993431-A1 METHOD FOR PRODUCING ENOL ETHERS BASF AKTIENGESELLSCHAFT (DE) 2000-04-19 EP disclosed
EP-0703211-B1 Process for the preparation of unsaturated ethers DEGUSSA (DE) 1999-11-10 EP disclosed
WO-1998058894-A1 METHOD FOR PRODUCING ENOL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO 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