⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15947500 | 1.00 | — | — | |
| SCHEMBL15918674 | 1.00 | — | — | |
| SCHEMBL15917515 | 0.92 | — | — | |
| SCHEMBL15933732 | 0.90 | — | — | |
| SCHEMBL9110970 | 0.89 | GPBAR1 (0.53) | — | |
| SCHEMBL15916808 | 0.88 | — | — | |
| SCHEMBL18525879 | 0.88 | GPBAR1 (0.60) | — | |
| SCHEMBL9104978 | 0.88 | GPBAR1 (0.60) | — | |
| SCHEMBL9110443 | 0.88 | GPBAR1 (0.60) | — | |
| SCHEMBL12698045 | 0.88 | GPBAR1 (0.60) | — |
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-2017025901-A1 | NOVEL C28-ANALOGUES WITH C3-MODIFICATIONS OF TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2017-02-16 | — | — | WO | disclosed |