⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12069152 | 0.80 | — | — | |
| SCHEMBL14087810 | 0.78 | — | — | |
| SCHEMBL13839056 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL10687616 | 0.78 | — | — | |
| SCHEMBL12812301 | 0.75 | LTB4R (0.31) | — | |
| SCHEMBL18925052 | 0.75 | — | — | |
| SCHEMBL14458792 | 0.70 | — | — | |
| SCHEMBL17655646 | 0.69 | HTT (0.31) | — | |
| SCHEMBL18434320 | 0.67 | — | — | |
| SCHEMBL15083810 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3199517-A1 | NEPRILYSIN INHIBITORS | Theravance Biopharma R&D IP, LLC (US) | 2017-08-02 | — | — | EP | disclosed |