⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13356590 | 0.76 | FUCA1 (0.34) | — | |
| SCHEMBL16429693 | 0.74 | FUCA1 (0.33) | — | |
| SCHEMBL12955143 | 0.73 | USP2 (0.40) | — | |
| SCHEMBL13369562 | 0.70 | MTNR1A (0.33) | — | |
| SCHEMBL8226091 | 0.70 | MTNR1A (0.39) | — | |
| SCHEMBL13165688 | 0.70 | TDP1 (0.58) | — | |
| SCHEMBL48633 | 0.70 | — | — | |
| SCHEMBL12045442 | 0.69 | MTNR1A (0.35) | — | |
| Hydrochloric Acid SCHEMBL4553435 | 0.68 | — | — | |
| SCHEMBL22235480 | 0.68 | FUCA1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539686-A1 | INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040167131-A1 | Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade | PFIZER INC. | 2004-08-26 | — | — | US | disclosed |
| WO-2004024679-A1 | INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE | WARNER-LAMBERT COMPANY LLC (US) | 2004-03-25 | — | — | WO | disclosed |