SCHEMBL29600084

SCHEMBL29600084

[2H]C1([2H])C=CC(c2ccccc2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL30222408 0.87 MAOA (0.34) ALDH1A1
SCHEMBL29640442 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3807753 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL17726107 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7642819 0.73 PPARA (0.40) ALDH1A1
Hydrochloric Acid SCHEMBL29250779 0.71 PPARA (0.39) ALDH1A1
SCHEMBL27511955 0.71
SCHEMBL23890279 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18923449 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13878019 0.68 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925577-A Novel diamines, polymers and films made therefrom SK新技术株式会社 2023-04-07 CN claimed
CN-112552499-B Block polyester polyol, preparation method thereof and waterborne polyurethane 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-109790292-B Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2022-05-31 CN claimed
CN-115958821-A Bonding material and method for producing molded body 精工爱普生株式会社 2023-04-14 CN disclosed
CN-112552499-B Block polyester polyol, preparation method thereof and waterborne polyurethane 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-109790292-B Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2022-05-31 CN disclosed