⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL229747 | 0.80 | RAB9A (0.59) | — | |
| SCHEMBL306134 | 0.78 | — | — | |
| SCHEMBL30558522 | 0.78 | — | — | |
| SCHEMBL19915750 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6363468 | 0.76 | RAB9A (0.55) | — | |
| SCHEMBL30754820 | 0.76 | — | — | |
| SCHEMBL4316235 | 0.76 | — | — | |
| SCHEMBL10138645 | 0.76 | — | — | |
| SCHEMBL2007460 | 0.76 | — | — | |
| SCHEMBL19151683 | 0.74 | RAB9A (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3541803-B1 | TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-12-23 | — | — | EP | disclosed |
| EP-3152193-B1 | TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN | HOLZGRABE ULRIKE (DE) | 2018-03-28 | — | — | EP | disclosed |