SCHEMBL6568876

SCHEMBL6568876

CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.O=C=NC1CCC(N=C=O)CC1

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.94
CYP3A4 P08684 1/20 0.94

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
SCHEMBL22346251 1.00 ALDH1A1 (0.94) ALDH1A1CYP3A4
SCHEMBL30393565 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL28910450 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL14679716 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL2821152 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL6836764 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL29932997 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL15846 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL5610404 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL5569361 0.95 ALDH1A1 (0.97) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028991-A1 RESIN COMPOSITION, HEAT STORAGE MATERIAL, AND ARTICLE 昭和電工マテリアルズ株式会社 2021-02-18 WO disclosed
WO-2020234937-A1 METHOD FOR PRODUCING HEAT STORAGE SHEET 昭和電工マテリアルズ株式会社 (JP) 2020-11-26 WO disclosed
WO-2020183917-A1 CURABLE COMPOSITION, HEAT STORAGE MATERIAL, AND ARTICLE 日立化成株式会社 2020-09-17 WO disclosed
WO-2020183712-A1 CURABLE COMPOSITION, HEAT STORAGE MATERIAL, AND ARTICLE 日立化成株式会社 2020-09-17 WO disclosed
CN-105722881-B two-component adhesive 诺莱克斯股份公司 2019-08-02 CN disclosed
CN-105722881-A Two-component adhesive 诺莱克斯股份公司 2016-06-29 CN disclosed
EP-1479705-A1 Powder coatings produced with crosslinkers capable of curing at low temperatures and coated articles produced therefrom Bayer MaterialScience LLC (US) 2004-11-24 EP disclosed