⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6852859 | 0.81 | HTT (0.44) | — | |
| SCHEMBL6519888 | 0.79 | — | — | |
| SCHEMBL14877799 | 0.78 | — | — | |
| SCHEMBL6850579 | 0.77 | — | — | |
| SCHEMBL24286994 | 0.76 | — | — | |
| SCHEMBL621075 | 0.76 | — | — | |
| SCHEMBL5021620 | 0.76 | — | — | |
| SCHEMBL3465791 | 0.76 | — | — | |
| SCHEMBL12949585 | 0.74 | POLB (0.31) | — | |
| SCHEMBL16841704 | 0.74 | — | — |
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-1430028-A2 | AROMATIC AND HETEROAROMATIC ACID HALIDES FOR SYNTHESIZING POLYAMIDES | Pharmacia Corporation (US) | 2004-06-23 | — | — | EP | disclosed |
| EP-1421056-A1 | (ALPHA)-HALOENAMINE REAGENTS | Pharmacia Corporation (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003020684-A1 | (ALPHA)-HALOENAMINE REAGENTS | PHARMACIA CORPORATION (US) | 2003-03-13 | — | — | WO | disclosed |
| WO-2003018552-A2 | AROMATIC AND HETEROAROMATIC ACID HALIDES FOR SYNTHESIZING POLYAMIDES | PHARMACIA CORPORATION (US) | 2003-03-06 | — | — | WO | disclosed |