SCHEMBL3611392

SCHEMBL3611392

O=C=Nc1ccc(C(N=C=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 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
SCHEMBL333387 1.00 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL3517726 0.86 KCNN4 (0.36) TSHRMAPK1CYP1A2
SCHEMBL3851167 0.82 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL28772905 0.82 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL28473582 0.82 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL6402756 0.82 CYP3A4 (0.40) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL28153949 0.80 TSHR (0.32) TSHRCYP1A2
SCHEMBL28470737 0.79 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL30295335 0.79 ESR1 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL7191356 0.76 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141792-A1 PROCESS FOR REDUCING ALDEHYDE EMISSIONS IN POLYETHER POLYOLS AND POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC 2023-05-11 — — US disclosed
EP-3830166-A1 METHODS FOR REDUCING ALDEHYDE EMISSIONS IN POLYURETHANE FOAMS Dow Global Technologies LLC (US) 2021-06-09 — — EP disclosed
WO-2020024235-A1 METHODS FOR REDUCING ALDEHYDE EMISSIONS IN POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-02-06 — — WO disclosed
US-9720339-B2 Toner, developer using the toner, image forming apparatus RICOH COMPANY, LTD. (JP) 2017-08-01 — — US disclosed
WO-2010136268-A1 PIPES FOR DEEP WATER APPLICATIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-02 — — WO disclosed
US-20100280140-A1 Thermally Insulating Isocyanate-Based Foams MORLEY TIMOTHY A 2010-11-04 — — US disclosed
EP-1951778-A1 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS Bayer MaterialScience LLC (US) 2008-08-06 — — EP disclosed
WO-2007059011-A1 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS BAYER MATERIALSCIENCE LLC (US) 2007-05-24 — — WO disclosed
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