SCHEMBL8846434

SCHEMBL8846434

C[C](CC(C)C)C(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4655252 0.77
SCHEMBL8846132 0.73
SCHEMBL5668798 0.72 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL10482863 0.70 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL4653044 0.70 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL12157045 0.69 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL22273247 0.69
SCHEMBL21725214 0.69
SCHEMBL4768222 0.69 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL19491568 0.69 ALDH1A1 (0.33) ALDH1A1TDP1

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
EP-0767671-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1997-04-16 EP disclosed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO disclosed