⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2617525 | 0.73 | — | — | |
| SCHEMBL13646887 | 0.73 | — | — | |
| SCHEMBL12807884 | 0.71 | CA1 (0.37) | — | |
| SCHEMBL92826 | 0.70 | CA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8491797 | 0.68 | SPHK1 (0.35) | — | |
| SCHEMBL85044 | 0.67 | CA1 (0.35) | — | |
| SCHEMBL14628557 | 0.65 | — | — | |
| SCHEMBL12955348 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL15795178 | 0.63 | KMT2A (0.37) | — | |
| SCHEMBL6222743 | 0.63 | SLC6A2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008064066-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2008008776-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-17 | — | — | WO | disclosed |