SCHEMBL29045864

SCHEMBL29045864

CC1=CC=CC(=N)C1C.CN(C)CCN

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30438883 0.80
SCHEMBL5573 0.62
Hydrochloric Acid SCHEMBL1956986 0.60
SCHEMBL9187858 0.60
Bromide SCHEMBL7112966 0.60
SCHEMBL23304293 0.60
Ammonia Solution, Strong SCHEMBL9020669 0.60
Hydrochloric Acid SCHEMBL1533611 0.60
Hydrochloric Acid SCHEMBL3571584 0.60
SCHEMBL4284214 0.60

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-115161795-B Antibacterial fabric and preparation process thereof 宁波奉化帆盛嘉业服饰有限公司 2023-07-04 CN claimed