SCHEMBL31368697

SCHEMBL31368697

C1#CC=CCC#C1

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
SCHEMBL296385 0.76
SCHEMBL129122 0.53
SCHEMBL25375011 0.38
Methane SCHEMBL28255926 0.35
SCHEMBL25407819 0.31
Methane SCHEMBL21996486 0.31
SCHEMBL14994803 0.29
SCHEMBL16354066 0.29
SCHEMBL107071 0.25
SCHEMBL6559802 0.25

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
WO-2025031307-A1 MULTIDRUG LINKER AND ANTIBODY-DRUG CONJUGATE 上海华藕生物医药有限公司 2025-02-13 WO disclosed