⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL346079 | 0.72 | — | — | |
| SCHEMBL10272328 | 0.70 | — | — | |
| SCHEMBL1156277 | 0.70 | — | — | |
| SCHEMBL3710204 | 0.70 | — | — | |
| Ethyne SCHEMBL9741151 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL31260412 | 0.66 | PIM3 (0.44) | — | |
| SCHEMBL1491964 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL7423407 | 0.65 | NPC1 (0.53) | — | |
| SCHEMBL3022802 | 0.65 | — | — | |
| SCHEMBL23094547 | 0.65 | CYP2A6 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871782-B1 | DIPHOSPHINES AND METAL COMPLEXES | UMICORE AG & CO KG (DE) | 2012-02-29 | — | — | EP | disclosed |
| US-7863447-B2 | Diphosphines and metal complexes | UMICORE AG & CO., KG (DE) | 2011-01-04 | — | — | US | disclosed |
| US-20090270622-A1 | Diphosphines and Metal Complexes | UMICORE AG & CO., KG (DE) | 2009-10-29 | — | — | US | disclosed |
| EP-1871782-A2 | DIPHOSPHINES AND METAL COMPLEXES | Umicore AG & Co. KG (DE) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006111535-A2 | DIPHOSPHINES AND METAL COMPLEXES | UMICORE AG & CO. KG (DE) | 2006-10-26 | — | — | WO | disclosed |