⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30012372 | 0.82 | — | — | |
| SCHEMBL11381730 | 0.80 | — | — | |
| SCHEMBL5806014 | 0.79 | — | — | |
| SCHEMBL28589723 | 0.78 | — | — | |
| SCHEMBL598578 | 0.78 | — | — | |
| SCHEMBL9285389 | 0.78 | — | — | |
| SCHEMBL10604904 | 0.78 | — | — | |
| SCHEMBL39621 | 0.77 | — | — | |
| SCHEMBL7095408 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL12230997 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2688554-A2 | OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES | Cevc, Gregor (DE) | 2014-01-29 | — | — | EP | disclosed |
| US-20140017302-A1 | OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES | CEVC GREGOR (DE) | 2014-01-16 | — | — | US | disclosed |
| WO-2012126966-A2 | OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES | CEVC GREGOR (DE) | 2012-09-27 | — | — | WO | disclosed |
| EP-0124905-B1 | PROTEASE INHIBITORS | G.D. Searle & Co. (US) | 1986-10-29 | — | — | EP | disclosed |