SCHEMBL6704455

SCHEMBL6704455

CC(C)(N=C=O)c1ccccc1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.47
▸ TRPA1 O75762 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ POLB P06746 1/20 0.30

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
SCHEMBL145276 0.84 ALDH1A1 (0.34) CYP3A4ALDH1A1TDP1GABRA1GABRB2
SCHEMBL29483754 0.84 ALDH1A1 (0.34) CYP3A4ALDH1A1TDP1GABRA1GABRB2
SCHEMBL58726 0.82 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL6544263 0.82 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31318368 0.82 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL5576974 0.81 CYP3A4 (0.45) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL11767099 0.80 CYP3A4 (0.42) CYP3A4TRPA1
Hexamethylbenzene SCHEMBL28232121 0.79 CYP3A4 (0.38) CYP3A4ALDH1A1TDP1
SCHEMBL17966617 0.78 CYP3A4 (0.42) CYP3A4TRPA1
SCHEMBL9248539 0.77 CYP3A4 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1

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
EP-3369770-B1 CURABLE COMPOSITION, ESPECIALLY AS CRYSTALLIZING RUBBER TO SUBSTRATE BONDING PRIMER HENKEL AG & CO KGAA (DE) 2021-12-22 — — EP disclosed
CN-112779772-A Water repellent composition, water repellent fiber product, and method for producing water repellent fiber product 荒川化学工业株式会社 2021-05-11 — — CN disclosed
CN-112779782-A Water repellent composition, water repellent fiber product, and method for producing water repellent fiber product 荒川化学工业株式会社 2021-05-11 — — CN disclosed
CN-112779770-A Water repellent composition, water repellent fiber product, and method for producing water repellent fiber product 荒川化学工业株式会社 2021-05-11 — — CN disclosed
CN-108252082-B Water repellent composition, water repellent fiber product, and method for producing water repellent fiber product 日华化学株式会社 2021-04-27 — — CN disclosed
CN-111386327-A Water repellent composition and method for producing water repellent fiber product 日华化学株式会社 2020-07-07 — — CN disclosed
EP-3135740-B1 CURABLE COMPOSITION, ESPECIALLY FOR RUBBER TO SUBSTRATE BONDING HENKEL AG & CO KGAA (DE) 2018-10-10 — — EP disclosed
WO-2018158128-A1 CURABLE COMPOSITION, ESPECIALLY AS CRYSTALLIZING RUBBER TO SUBSTRATE BONDING PRIMER HENKEL AG & CO. KGAA (DE) 2018-09-07 — — WO disclosed
EP-3369770-A1 CURABLE COMPOSITION, ESPECIALLY AS CRYSTALLIZING RUBBER TO SUBSTRATE BONDING PRIMER Henkel AG & Co. KGaA (DE) 2018-09-05 — — EP disclosed
WO-2017037074-A1 CURABLE COMPOSITION, ESPECIALLY FOR RUBBER TO SUBSTRATE BONDING HENKEL AG & CO. KGAA (DE) 2017-03-09 — — WO disclosed
EP-3135740-A1 CURABLE COMPOSITION, ESPECIALLY FOR RUBBER TO SUBSTRATE BONDING Henkel AG & Co. KGaA (DE) 2017-03-01 — — EP disclosed
US-20040137155-A1 Fog-resistant coatings and methods of making the same EXXENE CORPORATION 2004-07-15 — — US disclosed
EP-1254187-A1 LOW MONOMER FOAM BAXENDEN CHEMICALS LIMITED (GB) 2002-11-06 — — EP disclosed
WO-2001057107-A1 LOW MONOMER FOAM BAXENDEN CHEMICALS LIMITED (GB) 2001-08-09 — — WO disclosed
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