⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29534955 | 0.86 | NPC1 (0.31) | — | |
| SCHEMBL413201 | 0.86 | NPC1 (0.31) | — | |
| SCHEMBL5716873 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL412114 | 0.82 | CDC25B (0.33) | — | |
| SCHEMBL2872911 | 0.82 | — | — | |
| SCHEMBL28421399 | 0.80 | CDC25B (0.32) | — | |
| Lithium SCHEMBL29767632 | 0.80 | CDC25B (0.32) | — | |
| SCHEMBL31276725 | 0.78 | CDC25B (0.38) | — | |
| SCHEMBL38659519 | 0.77 | CDC25B (0.37) | — | |
| SCHEMBL9442055 | 0.70 | CA1 (0.31) | — |
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-2222720-B1 | MONO-HYDROINDACENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2016-02-10 | — | — | EP | disclosed |
| US-8247587-B2 | Mono-hydroindacenyl complexes | BASELL POLYOLEFINE GMBH (DE) | 2012-08-21 | — | — | US | disclosed |
| US-20120022226-A1 | MONO-HYDROINDACENYL COMPLEXES | Vasell Polyolefine GmbH (DE) | 2012-01-26 | — | — | US | disclosed |