⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15114425 | 0.71 | — | — | |
| SCHEMBL20534639 | 0.70 | — | — | |
| SCHEMBL16892209 | 0.69 | GRM2 (0.36) | — | |
| SCHEMBL20066514 | 0.69 | — | — | |
| SCHEMBL20003186 | 0.69 | APLNR (0.31) | — | |
| SCHEMBL16892211 | 0.69 | GRM2 (0.36) | — | |
| SCHEMBL23430890 | 0.69 | ANPEP (0.31) | — | |
| SCHEMBL20002730 | 0.68 | — | — | |
| SCHEMBL22659045 | 0.66 | LMNA (0.39) | — | |
| SCHEMBL19236193 | 0.65 | P2RX7 (0.30) | — |
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-9914747-B2 | Extended betulinic acid analogs | VIIV Healthcare UK (No.5) Limited (GB) | 2018-03-13 | — | — | US | disclosed |
| US-20170334945-A1 | EXTENDED BETULINIC ACID ANALOGS | BRISTOL-MYERS SQUIBB COMPANY | 2017-11-23 | — | — | US | disclosed |