SCHEMBL28737151

SCHEMBL28737151

C1CCC2=C(C1)NC1=C(CCCC1)N2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL8047062 1.00
SCHEMBL20411233 0.65 ALDH1A1 (0.32) ALDH1A1TRIM24TRIM33
SCHEMBL11720970 0.65 CRBN (0.50) CRBN
SCHEMBL9965931 0.58
SCHEMBL1335950 0.58
SCHEMBL8866832 0.58 OR51E2 (0.47) CRBN
SCHEMBL23028960 0.56 CRBN (0.80) CRBNALDH1A1HTTTRIM24TRIM33
SCHEMBL1495179 0.53 TRIM24 (0.39) ALDH1A1TRIM24TRIM33
SCHEMBL1377292 0.53 TRIM24 (0.39) ALDH1A1TRIM24TRIM33
SCHEMBL3988343 0.53 TRIM24 (0.39) ALDH1A1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456096-B Purification method of caprolactam 江苏扬农化工集团有限公司 2023-09-26 CN disclosed
CN-114478385-A Method for preparing caprolactam by reactive distillation 江苏扬农化工集团有限公司 2022-05-13 CN disclosed
CN-114456096-A Method for purifying caprolactam 江苏扬农化工集团有限公司 2022-05-10 CN disclosed