⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6452036 | 0.70 | — | — | |
| SCHEMBL7703201 | 0.67 | — | — | |
| SCHEMBL4903566 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL6052836 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL545913 | 0.61 | — | — | |
| SCHEMBL8397264 | 0.61 | — | — | |
| SCHEMBL1076454 | 0.60 | — | — | |
| SCHEMBL3857558 | 0.60 | — | — | |
| SCHEMBL6052748 | 0.60 | — | — | |
| SCHEMBL1539345 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10072036-B2 | N-heterocyclic carbene complexes of metal imido alkylidenes and metal OXO alkylidenes, and the use of same | Universität Stuttgart (DE) | 2018-09-11 | — | — | US | disclosed |
| US-20170050994-A1 | N-Heterocyclic Carbene Complexes Of Metal Imido Alkylidenes And Metal OXO Alkylidenes, And The Use Of Same | Universität Stuttgart (DE) | 2017-02-23 | — | — | US | disclosed |