SCHEMBL21902170

SCHEMBL21902170

C/C(=C\N(C)C(C)C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 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
SCHEMBL23432870 0.78
SCHEMBL22871201 0.73 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL21303997 0.71
SCHEMBL25129050 0.71
SCHEMBL9358534 0.69 ALDH1A1 (0.41) ALDH1A1TDP1CA2
SCHEMBL9358542 0.69 ALDH1A1 (0.41) ALDH1A1TDP1CA2
SCHEMBL19035919 0.69 ALDH1A1 (0.41) ALDH1A1TDP1CA2
SCHEMBL24667726 0.69 PTPN1 (0.33) ALDH1A1
SCHEMBL8892291 0.69 ALDH1A1 (0.38) ALDH1A1TDP1CA2
SCHEMBL7542608 0.68

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
US-10961338-B2 Bottlebrush polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-30 US disclosed
US-20200123297-A1 BOTTLEBRUSH POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-23 US disclosed