SCHEMBL28414632

SCHEMBL28414632

OC1(N(C2(O)CCCCCCCCC2)C2(O)CCCCCCCCC2)CCCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL305703 1.00 ALDH1A1 (0.36) ALDH1A1
SCHEMBL233963 0.73 SLC6A2 (0.33) ALDH1A1
SCHEMBL9802008 0.73 SLC6A2 (0.33) ALDH1A1
SCHEMBL8316585 0.69
SCHEMBL4261588 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4262599 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4258822 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4258058 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL22678410 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4265274 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333521-A Amantadine organic acid ion salt and preparation method and application thereof 珠海中科先进技术研究院有限公司 2020-06-26 CN disclosed