⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5801604 | 0.88 | KCNH2 (0.33) | — | |
| SCHEMBL5803407 | 0.87 | KCNH2 (0.33) | — | |
| SCHEMBL5803044 | 0.81 | KMT2A (0.35) | — | |
| SCHEMBL5912974 | 0.75 | POLB (0.36) | — | |
| SCHEMBL5803379 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL5802233 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL3566651 | 0.65 | IDH1 (0.38) | — | |
| SCHEMBL3569297 | 0.64 | CHRM2 (0.31) | — | |
| SCHEMBL3570074 | 0.64 | TP53 (0.34) | — | |
| SCHEMBL3565830 | 0.63 | CHRM2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060160790-A1 | Thioureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-07-20 | — | — | US | disclosed |
| WO-2006063293-A2 | THIOUREAS AS FACTOR Xa INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-06-15 | — | — | WO | disclosed |