⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9905040 | 0.89 | CYP2C9 (0.38) | — | |
| SCHEMBL9904963 | 0.89 | CYP2C9 (0.38) | — | |
| SCHEMBL14212601 | 0.89 | — | — | |
| SCHEMBL14212628 | 0.88 | CYP2C9 (0.38) | — | |
| SCHEMBL9942970 | 0.87 | CYP2C9 (0.37) | — | |
| SCHEMBL9943115 | 0.86 | CYP2C9 (0.36) | — | |
| SCHEMBL9901458 | 0.86 | CYP2C9 (0.36) | — | |
| SCHEMBL9942982 | 0.86 | CYP2C9 (0.36) | — | |
| SCHEMBL9942937 | 0.86 | CYP2C9 (0.39) | — | |
| SCHEMBL9905132 | 0.86 | CYP2C9 (0.39) | — |
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-8835411-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-8835411-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-20120309698-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-06 | — | — | US | disclosed |
| US-20120309698-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-06 | — | — | US | disclosed |
| WO-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |