SCHEMBL9404197

SCHEMBL9404197

C=C(C)C(=O)NCCCOC(C)OCCCNC(=O)C(=C)C.C=C(C)C(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.41
TSHR P16473 5/20 0.41
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ACHE P22303 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL167252 0.89 ALDH1A1 (0.51) ALDH1A1TSHRHTTL3MBTL1SMN1; SMN2
SCHEMBL9421249 0.85 TSHR (0.55) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL194228 0.84 THRB (0.55) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL18979685 0.81 TSHR (0.55) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL16384910 0.81 TSHR (0.47) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL18103931 0.80 TSHR (0.53) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL1197607 0.80 ALDH1A1 (0.65) ALDH1A1TSHRHTTTDP1L3MBTL1
SCHEMBL16309330 0.80 TSHR (0.56) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL16806093 0.80 THRB (0.53) ALDH1A1THRBTSHRHTTPOLB
SCHEMBL16805859 0.79 THRB (0.47) ALDH1A1THRBTSHRHTTPOLB

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-0352774-B1 Photopolymerisation sensitizer active at longer wavelength DU PONT (US) 1994-06-22 EP disclosed
US-5096790-A Cyclopentanone, 2,5-bis-(benzo(i,j)quinolizine)methylene, photoresist E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-17 US disclosed
US-4987230-A DERIVED FROM CYCLIC KETONES AND TRICYCLIC AMINOALDEHYDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-22 US disclosed
EP-0352774-A1 Photopolymerisation sensitizer active at longer wavelength E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-01-31 EP disclosed
EP-0039025-B1 DERIVATIVES OF ARYL KETONES AS SENSITIZERS OF PHOTOPOLYMERIZABLE COMPOUNDS FOR THE VISIBLE SPECTRAL RANGE, AND PHOTOPOLYMERIZABLE COMPOSITIONS COMPRISING THE SAID SENSITIZERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-14 EP disclosed
US-4351893-A TRIARYLIMIDAZOLE DIMER INITIATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-28 US disclosed
EP-0039025-A1 Derivatives of aryl ketones as sensitizers of photopolymerizable compounds for the visible spectral range, and photopolymerizable compositions comprising the said sensitizers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-04 EP disclosed
US-4268667-A Derivatives of aryl ketones based on 9,10-dihydro-9,10-ethanoanthracene and p-dialkyl-aminoaryl aldehydes as visible sensitizers for photopolymerizable compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-19 US disclosed
US-4126466-A Composite, mask-forming, photohardenable elements E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-11-21 US disclosed
US-RE28789-E ETHYLENICALLY UNSATURATED MONOMER; RADIATION ABSORBER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-27 US disclosed