⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7404087 | 0.80 | — | — | |
| SCHEMBL8481479 | 0.79 | — | — | |
| SCHEMBL8483306 | 0.79 | — | — | |
| SCHEMBL7445527 | 0.79 | — | — | |
| SCHEMBL8483317 | 0.78 | — | — | |
| SCHEMBL3120583 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL7401015 | 0.71 | — | — | |
| SCHEMBL1967064 | 0.69 | — | — | |
| SCHEMBL1567637 | 0.67 | EPHX2 (0.32) | — | |
| SCHEMBL7959715 | 0.65 | EPHX2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5939418-A | ANTICOAGULANT | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0874629-A4 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | DU PONT MERCK PHARMA (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0874629-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997023212-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |