⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL405106 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL406452 | 0.78 | LMNA (0.46) | — | |
| SCHEMBL406373 | 0.78 | HTT (0.44) | — | |
| SCHEMBL12246130 | 0.77 | DHODH (0.38) | — | |
| SCHEMBL406787 | 0.71 | POLB (0.41) | — | |
| SCHEMBL31332401 | 0.70 | HTT (0.38) | — | |
| SCHEMBL405426 | 0.69 | ACHE (0.36) | — | |
| SCHEMBL463614 | 0.68 | KIF11 (0.38) | — | |
| SCHEMBL14690725 | 0.67 | LMNA (0.40) | — | |
| SCHEMBL22077950 | 0.61 | DYRK1B (0.40) | — |
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-20120065187-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | ALCON RESEARCH, LTD (US) | 2012-03-15 | — | — | US | disclosed |