⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13199319 | 0.74 | — | — | |
| SCHEMBL10329936 | 0.63 | — | — | |
| SCHEMBL278444 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL9975661 | 0.63 | GRIN2D (0.32) | — | |
| SCHEMBL15688340 | 0.62 | — | — | |
| SCHEMBL681245 | 0.62 | — | — | |
| SCHEMBL16130222 | 0.62 | CYP2B6 (0.32) | — | |
| SCHEMBL681107 | 0.61 | GRIN2D (0.33) | — | |
| SCHEMBL15483615 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL21422563 | 0.59 | GRIN2D (0.34) | — |
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-8063077-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100249117-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2010-09-30 | — | — | US | disclosed |
| US-7763608-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20090030045-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2009-01-29 | — | — | US | disclosed |
| US-20070259924-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2007-11-08 | — | — | US | disclosed |