⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1769112 | 0.90 | — | — | |
| SCHEMBL1769111 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL1769119 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1769122 | 0.89 | — | — | |
| SCHEMBL16075589 | 0.86 | RAB9A (0.41) | — | |
| SCHEMBL16075590 | 0.83 | — | — | |
| SCHEMBL1768975 | 0.82 | RAB9A (0.38) | — | |
| SCHEMBL13813392 | 0.82 | — | — | |
| SCHEMBL1768980 | 0.82 | RAB9A (0.38) | — | |
| Hydrochloric Acid SCHEMBL1769000 | 0.81 | — | — |
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-20140275019-A1 | TETRAHYDROPYRIDINE DERIVATIVES AS FABI INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-09-18 | — | — | US | disclosed |
| US-20140275019-A1 | TETRAHYDROPYRIDINE DERIVATIVES AS FABI INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-09-18 | — | — | US | disclosed |