⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12568917 | 0.81 | — | — | |
| SCHEMBL12568911 | 0.68 | GBA1 (0.33) | — | |
| SCHEMBL12621520 | 0.66 | — | — | |
| SCHEMBL13398291 | 0.65 | DPP4 (0.32) | — | |
| SCHEMBL11990410 | 0.64 | — | — | |
| SCHEMBL11990387 | 0.64 | — | — | |
| SCHEMBL11990507 | 0.64 | — | — | |
| SCHEMBL11990429 | 0.60 | CHRNB2 (0.35) | — | |
| SCHEMBL12879231 | 0.60 | — | — | |
| SCHEMBL11990382 | 0.60 | ACE (0.32) | — |
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-7964596-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2011-06-21 | — | — | US | disclosed |
| US-20090227635-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2009-09-10 | — | — | US | disclosed |