⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL711360 | 0.82 | RAB9A (0.75) | — | |
| SCHEMBL2216212 | 0.82 | ALDH1A1 (1.00) | — | |
| SCHEMBL23855456 | 0.80 | — | — | |
| SCHEMBL1232758 | 0.78 | — | — | |
| SCHEMBL658097 | 0.78 | — | — | |
| SCHEMBL22721189 | 0.78 | ALDH1A1 (0.83) | — | |
| SCHEMBL5366336 | 0.78 | — | — | |
| SCHEMBL230036 | 0.78 | — | — | |
| SCHEMBL11407883 | 0.78 | — | — | |
| SCHEMBL352209 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2012069275-A1 | GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-05-31 | — | — | WO | disclosed |