⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12698219 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14673326 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL14673239 | 0.99 | — | — | |
| SCHEMBL15917919 | 0.92 | — | — | |
| SCHEMBL12698262 | 0.92 | — | — | |
| SCHEMBL15933594 | 0.90 | — | — | |
| SCHEMBL15917886 | 0.90 | — | — | |
| SCHEMBL14656856 | 0.89 | — | — | |
| SCHEMBL17044194 | 0.89 | — | — | |
| SCHEMBL12698298 | 0.89 | NT5E (0.55) | — |
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-2012106190-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-09 | — | — | WO | disclosed |