SCHEMBL28857405

SCHEMBL28857405

CCCCC1=CC=CC1.[Zr]

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
SCHEMBL7634517 1.00
Hydrochloric Acid SCHEMBL7197647 0.98
Hydrochloric Acid SCHEMBL6917713 0.98
Hydrochloric Acid SCHEMBL7202459 0.98
SCHEMBL337597 0.98
SCHEMBL284854 0.98
SCHEMBL20972451 0.95
SCHEMBL27656769 0.95 HRH3 (0.32)
SCHEMBL28396536 0.95 HRH3 (0.32)
SCHEMBL28316000 0.95

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-107847921-A Hydrosilylation reaction catalyst 国立大学法人九州大学 2018-03-27 CN disclosed