⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16615627 | 0.89 | — | — | |
| SCHEMBL17997118 | 0.76 | — | — | |
| SCHEMBL18271369 | 0.74 | — | — | |
| SCHEMBL16615655 | 0.74 | THRA (0.30) | — | |
| SCHEMBL16615642 | 0.69 | — | — | |
| SCHEMBL16615601 | 0.64 | — | — | |
| SCHEMBL16615691 | 0.64 | — | — | |
| SCHEMBL16615696 | 0.61 | — | — | |
| SCHEMBL16615510 | 0.60 | THRA (0.36) | — | |
| SCHEMBL17997114 | 0.60 | AGXT (0.32) | — |
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-2017106071-A1 | SPIROCYCLIC QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |