⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17480197 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL6018675 | 0.72 | FDPS (0.33) | — | |
| SCHEMBL28613244 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL27770487 | 0.70 | — | — | |
| SCHEMBL11453365 | 0.70 | — | — | |
| SCHEMBL162507 | 0.70 | BLM (0.38) | — | |
| SCHEMBL14093062 | 0.68 | FDPS (0.37) | — | |
| SCHEMBL3389954 | 0.68 | — | — | |
| SCHEMBL13636130 | 0.68 | CA5A (0.31) | — | |
| SCHEMBL6344301 | 0.67 | BHMT (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188750-B1 | METHOD FOR DETERMINING THREE-DIMENSIONAL STRUCTURES OF DYNAMIC MOLECULES | C4X DICOVERY LTD (GB) | 2023-06-07 | — | — | EP | disclosed |
| US-10482997-B2 | Method for determining three-dimensional structures of dynamic molecules | CONFORMETRIX LIMITED (GB) | 2019-11-19 | — | — | US | disclosed |
| US-20180096112-A1 | METHOD FOR DETERMINING THREE-DIMENSIONAL STRUCTURES OF DYNAMIC MOLECULES | CONFORMETRIX LIMITED (GB) | 2018-04-05 | — | — | US | disclosed |
| US-20100191517-A1 | METHOD FOR DETERMINING THREE-DIMENSIONAL STRUCTURES OF DYNAMIC MOLECULES | CONFORMETRIX LIMITED (GB) | 2010-07-29 | — | — | US | disclosed |
| EP-2188750-A2 | METHOD FOR DETERMINING THREE-DIMENSIONAL STRUCTURES OF DYNAMIC MOLECULES | Conformetrix Limited (GB) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009034297-A2 | METHOD FOR DETERMINING THREE-DIMENSIONAL STRUCTURES OF DYNAMIC MOLECULES | CONFORMETRIX LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |