⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385856 | 1.00 | — | — | |
| SCHEMBL387331 | 0.87 | TRPV3 (0.33) | — | |
| SCHEMBL386175 | 0.87 | S1PR1 (0.40) | — | |
| SCHEMBL385284 | 0.86 | S1PR1 (0.45) | — | |
| SCHEMBL386678 | 0.80 | DPP4 (0.34) | — | |
| SCHEMBL385772 | 0.79 | — | — | |
| SCHEMBL387194 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL386342 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL387568 | 0.75 | — | — | |
| SCHEMBL387022 | 0.75 | GRM5 (0.37) | — |
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-7199150-B2 | Amino alcohol compounds | SANKYO COMPANY, LIMITED (JP) | 2007-04-03 | — | — | US | disclosed |
| US-20050043386-A1 | Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these | SANKYO COMPANY, LIMITED (JP) | 2005-02-24 | — | — | US | disclosed |