SCHEMBL28969418

SCHEMBL28969418

CCC(O)(C(C)O)C(N)CN

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16074875 0.77 TSHR (0.39) ALDH1A1
SCHEMBL7554962 0.70
SCHEMBL18096795 0.69 TSHR (0.32)
SCHEMBL21578820 0.69 TSHR (0.38)
SCHEMBL18096783 0.69 TSHR (0.32)
SCHEMBL16077456 0.69 TSHR (0.43)
Isopropyl Alcohol SCHEMBL561671 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9421033 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL29076389 0.69
Ethylamine SCHEMBL21838414 0.66 TSHR (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784660-A Composition containing polyether refined adsorbent slag and application thereof 南京红宝丽醇胺化学有限公司 2023-03-14 CN claimed
CN-115784660-A Composition containing polyether refined adsorbent slag and application thereof 南京红宝丽醇胺化学有限公司 2023-03-14 CN disclosed