⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274434 | 0.98 | MAOA (0.30) | — | |
| SCHEMBL2353111 | 0.80 | — | — | |
| SCHEMBL3696804 | 0.76 | NR1I2 (0.30) | — | |
| SCHEMBL3693667 | 0.73 | — | — | |
| SCHEMBL3698088 | 0.71 | — | — | |
| SCHEMBL3697862 | 0.68 | — | — | |
| SCHEMBL3694959 | 0.66 | CNR1 (0.33) | — | |
| SCHEMBL3692428 | 0.66 | CNR1 (0.33) | — | |
| SCHEMBL1780082 | 0.65 | MAPT (0.35) | — | |
| SCHEMBL1051743 | 0.65 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2459600-B1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2013-11-20 | — | — | EP | disclosed |
| US-8471050-B2 | Organometallic transition metal compound, catalyst system and preparation of polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2013-06-25 | — | — | US | disclosed |
| US-20120142874-A1 | Organometallic Transition Metal Compound, Catalyst System and Preparation of Polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2012-06-07 | — | — | US | disclosed |