⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5109455 | 0.83 | DHODH (0.33) | — | |
| SCHEMBL4964853 | 0.74 | ADRA1A (0.31) | — | |
| SCHEMBL4963101 | 0.72 | DHODH (0.34) | — | |
| SCHEMBL4664625 | 0.71 | ATP4A (0.36) | — | |
| Oxalic Acid SCHEMBL5656929 | 0.68 | RAB9A (0.35) | — | |
| SCHEMBL4755212 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL4737642 | 0.63 | NPY5R (0.37) | — | |
| SCHEMBL4740444 | 0.62 | HCAR2 (0.34) | — | |
| SCHEMBL4739249 | 0.62 | PIN1 (0.31) | — | |
| SCHEMBL4734328 | 0.62 | CCNC (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080280855-A1 | Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles | NYCOMED GMBH (DE) | 2008-11-13 | — | — | US | disclosed |