⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14122477 | 0.91 | — | — | |
| SCHEMBL9905302 | 0.89 | — | — | |
| Trifluoroacetic Acid SCHEMBL14122205 | 0.89 | CYP2C9 (0.30) | — | |
| SCHEMBL16105136 | 0.89 | CYP2C9 (0.31) | — | |
| SCHEMBL9905028 | 0.87 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9905345 | 0.86 | — | — | |
| SCHEMBL9905254 | 0.86 | — | — | |
| SCHEMBL9905083 | 0.81 | CYP2C9 (0.32) | — | |
| SCHEMBL9905222 | 0.80 | CYP2C9 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL9905301 | 0.78 | CYP2C9 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649074-A1 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-10-16 | — | — | EP | claimed |
| US-20120309745-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-06 | — | — | US | claimed |
| WO-2012078844-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | claimed |
| US-8846659-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-30 | — | — | US | disclosed |
| US-20120309745-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-06 | — | — | US | disclosed |