⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17105829 | 0.95 | — | — | |
| SCHEMBL13727790 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL6792824 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL18553832 | 0.72 | — | — | |
| SCHEMBL17008161 | 0.72 | — | — | |
| SCHEMBL19409289 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL15063238 | 0.72 | — | — | |
| Methane SCHEMBL16863054 | 0.72 | — | — | |
| SCHEMBL15709600 | 0.72 | — | — | |
| SCHEMBL17140369 | 0.72 | — | — |
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-9308528-B2 | Nickel-based complexes and their use in a process for the transformation of olefins | UNIVERSITEIT VAN AMSTERDAM (NL) | 2016-04-12 | — | — | US | disclosed |
| US-20150306589-A1 | NOVEL NICKEL-BASED COMPLEXES AND THEIR USE IN A PROCESS FOR THE TRANSFORMATION OF OLEFINS | UNIVERSITEIT VAN AMSTERDAM (NL) | 2015-10-29 | — | — | US | disclosed |