⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL30621851 | 1.00 | — | — | |
| Methylamine SCHEMBL29533072 | 1.00 | — | — | |
| SCHEMBL30057804 | 0.91 | — | — | |
| SCHEMBL219355 | 0.91 | — | — | |
| Methylamine SCHEMBL29773658 | 0.89 | — | — | |
| Methylamine SCHEMBL30379555 | 0.89 | — | — | |
| SCHEMBL17387107 | 0.88 | — | — | |
| SCHEMBL3024020 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL5610610 | 0.88 | — | — | |
| SCHEMBL17387065 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1833859-A2 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006065843-A2 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |