SCHEMBL29239086

SCHEMBL29239086

C=CC[N+](C)(C)CC=C.N#CC(C#N)C#N

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.34

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
Water SCHEMBL27284941 0.82 BBOX1 (0.43) BBOX1
Water SCHEMBL27684661 0.79 BBOX1 (0.41) BBOX1
Water SCHEMBL4391926 0.79 BBOX1 (0.41) BBOX1
SCHEMBL33742 0.79
Acrylonitrile SCHEMBL28301589 0.78 ALDH1A1 (0.45) BBOX1
SCHEMBL15863130 0.78 BBOX1 (0.35) BBOX1
Hydrochloric Acid SCHEMBL7744315 0.76 BBOX1 (0.43) BBOX1
Hydrochloric Acid SCHEMBL4587004 0.76 BBOX1 (0.43) BBOX1
Ammonia Solution, Strong SCHEMBL2368198 0.76 BBOX1 (0.43) BBOX1
Hydrochloric Acid SCHEMBL4587394 0.76 BBOX1 (0.43) BBOX1

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-116609413-A Ultrathin polyion liquid-based solid electrolyte membrane for electrochemical gas sensor and preparation method and application thereof 浙江大学 2023-08-18 CN disclosed