⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2639213 | 1.00 | — | — | |
| SCHEMBL23269831 | 0.93 | CHRM2 (0.45) | — | |
| SCHEMBL18888107 | 0.86 | — | — | |
| SCHEMBL27961556 | 0.82 | LMNA (0.47) | — | |
| SCHEMBL105138 | 0.81 | — | — | |
| SCHEMBL9161584 | 0.81 | LMNA (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL28290304 | 0.79 | LMNA (0.48) | — | |
| SCHEMBL3732851 | 0.79 | — | — | |
| SCHEMBL39044 | 0.77 | — | — | |
| SCHEMBL8444815 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190031709-A1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2019-01-31 | — | — | US | disclosed |