⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9037717 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9047334 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL6622289 | 0.76 | — | — | |
| SCHEMBL281979 | 0.76 | — | — | |
| SCHEMBL18393321 | 0.74 | — | — | |
| SCHEMBL7075660 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL6964158 | 0.73 | MAPT (0.46) | — | |
| SCHEMBL13982845 | 0.71 | — | — | |
| SCHEMBL4337185 | 0.71 | — | — | |
| SCHEMBL154710 | 0.71 | — | — |
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-6653326-B1 | For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders | BIOREX RESEARCH & DEVELOPMENT CO. (HU) | 2003-11-25 | — | — | US | disclosed |