⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29990102 | 0.83 | — | — | |
| SCHEMBL754075 | 0.83 | — | — | |
| SCHEMBL477841 | 0.83 | — | — | |
| SCHEMBL140065 | 0.83 | — | — | |
| Water SCHEMBL1333599 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL605748 | 0.80 | — | — | |
| SCHEMBL6287363 | 0.80 | MEN1 (0.41) | — | |
| SCHEMBL6844415 | 0.75 | DPP4 (0.30) | — | |
| SCHEMBL9798387 | 0.69 | — | — | |
| SCHEMBL29617116 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0234401-B1 | PROCESS FOR THE SYNTHESIS OF HYDROXYALKYL AMINES AND HYDROXYALKYL PIPERAZINES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-05-23 | — | — | EP | disclosed |