SCHEMBL8769630

SCHEMBL8769630

CCCCOC(=O)NCC#CC#CCNC(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.56
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44

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
SCHEMBL9676610 0.88 ACHE (0.48) ACHEEPHX1ALDH1A1
SCHEMBL337339 0.85 ACHE (0.53) ACHEEPHX1ALDH1A1ATM
SCHEMBL8645448 0.85 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL8195570 0.85 ACHE (0.53) ACHEEPHX1ALDH1A1ATM
SCHEMBL7877545 0.84 ACHE (0.51) ACHEEPHX1ALDH1A1ATM
SCHEMBL3627549 0.82 ACHE (0.58) ACHEEPHX1ALDH1A1ATM
Hydrochloric Acid SCHEMBL7877530 0.82 ACHE (0.50) ACHEEPHX1ALDH1A1ATM
SCHEMBL10939707 0.82 ACHE (0.81) ACHEEPHX1
SCHEMBL3645511 0.81 EPHX2 (0.53) ACHE
SCHEMBL8769122 0.81 ACHE (0.62) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554276-B1 IMAGEABLE RECORDING FILMS ISP INVESTMENTS INC (US) 1997-09-17 EP disclosed
EP-0554276-A4 ISP INVESTMENTS INC (US) 1995-08-02 EP disclosed
EP-0554276-A1 IMAGEABLE RECORDING FILMS. ISP INVESTMENTS INC (US) 1993-08-11 EP disclosed
US-5149617-A Imageable diacetylene ethers ISP INVESTMENTS INC. (US) 1992-09-22 US disclosed
US-5139928-A Containing mixture of crystalline acetylenic monomer particles and acetylenic polymer particles ISP INVESTMENTS INC. (US) 1992-08-18 US disclosed
WO-1992007298-A1 IMAGEABLE RECORDING FILMS ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed
WO-1992007294-A1 LASER IMAGEABLE POLYACETYLENE POLYMER ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed
WO-1992006951-A1 DIACETYLENE ETHERS ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed
WO-1992007297-A1 LASER IMAGEABLE COMPOSITION ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed
US-5095134-A Thermochromic diacetylene ethers containing ester or urethane groups ISP INVESTMENTS INC. (US) 1992-03-10 US disclosed