⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11816666 | 0.84 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL11816842 | 0.83 | — | — | |
| SCHEMBL16770070 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL713511 | 0.77 | CYP17A1 (0.30) | — | |
| SCHEMBL14285874 | 0.77 | — | — | |
| SCHEMBL19218042 | 0.77 | HSD11B1 (0.34) | — | |
| SCHEMBL3705297 | 0.77 | — | — | |
| SCHEMBL4718259 | 0.77 | CYP3A4 (0.40) | — | |
| SCHEMBL372402 | 0.75 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL4840161 | 0.75 | CYP3A4 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9212199-B2 | Catalyst compounds | THE UNIVERSITY OF LIVERPOOL (GB) | 2015-12-15 | — | — | US | disclosed |
| US-9212199-B2 | Catalyst compounds | THE UNIVERSITY OF LIVERPOOL (GB) | 2015-12-15 | — | — | US | disclosed |
| US-20150080592-A1 | CATALYST COMPOUNDS | THE UNIVERSITY OF LIVERPOOL (GB) | 2015-03-19 | — | — | US | disclosed |
| US-20150080592-A1 | CATALYST COMPOUNDS | THE UNIVERSITY OF LIVERPOOL (GB) | 2015-03-19 | — | — | US | disclosed |
| WO-2013153407-A1 | CATALYST COMPOUNDS | THE UNIVERSITY OF LIVERPOOL (GB) | 2013-10-17 | — | — | WO | disclosed |