⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1402123 | 0.70 | — | — | |
| SCHEMBL6910761 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8845230 | 0.67 | — | — | |
| SCHEMBL7028983 | 0.67 | — | — | |
| SCHEMBL477927 | 0.64 | — | — | |
| SCHEMBL909714 | 0.64 | — | — | |
| Trichloroethane SCHEMBL64609 | 0.61 | — | — | |
| SCHEMBL10649555 | 0.61 | — | — | |
| SCHEMBL7490 | 0.61 | — | — | |
| Trichloroethane SCHEMBL16434 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130281653-A1 | N-Heterocyclic Carbene Based Zirconium Complexes For Use In Lactones Ring Opening Polymerization | CLARIANT FINANCE (BVI) LIMITED (VG) | 2013-10-24 | — | — | US | disclosed |
| EP-2649083-A1 | N-HETEROCYCLIC CARBENE BASED ZIRCONIUM COMPLEXES FOR USE IN LACTONES RING OPENING POLYMERIZATION | Clariant Finance (BVI) Limited (VG) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076140-A1 | N-HETEROCYCLIC CARBENE BASED ZIRCONIUM COMPLEXES FOR USE IN LACTONES RING OPENING POLYMERIZATION | CLARIANT INTERNATIONAL LTD (CH) | 2012-06-14 | — | — | WO | disclosed |