⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4326680 | 1.00 | — | — | |
| SCHEMBL9744563 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28684964 | 0.98 | TBXAS1 (0.53) | — | |
| SCHEMBL27831829 | 0.83 | TBXAS1 (0.50) | — | |
| SCHEMBL8700924 | 0.82 | — | — | |
| SCHEMBL2947596 | 0.81 | TBXAS1 (0.51) | — | |
| SCHEMBL10646269 | 0.81 | TBXAS1 (0.51) | — | |
| SCHEMBL2947594 | 0.81 | TBXAS1 (0.51) | — | |
| SCHEMBL13639840 | 0.79 | TBXAS1 (0.52) | — | |
| SCHEMBL5857339 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013056034-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-18 | — | — | WO | disclosed |