⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6039517 | 1.00 | — | — | |
| SCHEMBL9545378 | 1.00 | — | — | |
| SCHEMBL7518753 | 0.79 | — | — | |
| SCHEMBL5579078 | 0.79 | — | — | |
| SCHEMBL9116574 | 0.79 | — | — | |
| SCHEMBL1647741 | 0.78 | ALOX15 (0.39) | — | |
| SCHEMBL11557961 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL3392906 | 0.78 | ALOX15 (0.39) | — | |
| SCHEMBL5454576 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL1995208 | 0.75 | — | — |
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-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |