SCHEMBL16758253

SCHEMBL16758253

CC(C)C1=C([Fe+3]C2=C(C(C)C)C=CC2)CC=C1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

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
SCHEMBL16758329 0.73
SCHEMBL16758331 0.73
SCHEMBL714797 0.66
SCHEMBL7923511 0.66
Hydrochloric Acid SCHEMBL7918834 0.64
SCHEMBL10390244 0.64
SCHEMBL10390106 0.64
SCHEMBL2426984 0.64
SCHEMBL10390027 0.64
SCHEMBL9224200 0.64

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074450-B1 MOISTURE CURABLE COMPOUND WITH METAL-ARENE COMPLEXES MOMENTIVE PERFORMANCE MAT INC (US) 2020-11-11 EP disclosed
US-10174169-B2 Moisture curable compound with metal-arene complexes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2019-01-08 US disclosed
US-20170260335-A1 MOISTURE CURABLE COMPOUND WITH METAL-ARENE COMPLEXES MOMENTIVE PERFORMANCE MATERIALS INC. 2017-09-14 US disclosed
EP-3074450-A1 MOISTURE CURABLE COMPOUND WITH METAL-ARENE COMPLEXES Momentive Performance Materials Inc. (US) 2016-10-05 EP disclosed
WO-2015081146-A1 MOISTURE CURABLE COMPOUND WITH METAL-ARENE COMPLEXES MOMENTIVE PERFORMANCE MATERIALS INC (US) 2015-06-04 WO disclosed