⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20932729 | 0.74 | CHRNB2 (0.35) | — | |
| SCHEMBL19261310 | 0.72 | — | — | |
| SCHEMBL18419801 | 0.72 | — | — | |
| SCHEMBL19617997 | 0.70 | — | — | |
| SCHEMBL21093494 | 0.70 | — | — | |
| SCHEMBL21523958 | 0.70 | — | — | |
| SCHEMBL23747420 | 0.69 | — | — | |
| SCHEMBL29304569 | 0.69 | — | — | |
| SCHEMBL23591378 | 0.69 | — | — | |
| SCHEMBL164325 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9802915-B2 | Indole carboxamide compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-31 | — | — | US | disclosed |
| US-20170066740-A1 | INDOLE CARBOXAMIDE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-09 | — | — | US | disclosed |