⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21402024 | 0.80 | — | — | |
| SCHEMBL4274814 | 0.79 | — | — | |
| SCHEMBL10895531 | 0.77 | — | — | |
| SCHEMBL10898526 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL10899139 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL151840 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL8274598 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL24469818 | 0.71 | — | — | |
| SCHEMBL12181397 | 0.70 | ADH1B (0.43) | — | |
| SCHEMBL283457 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8134023-B2 | Preparation of pregabalin and related compounds | PFIZER INC (US) | 2012-03-13 | — | — | US | disclosed |
| US-20120015412-A1 | Preparation of Pregabalin and Related Compounds | PFIZER INC | 2012-01-19 | — | — | US | disclosed |
| US-8044227-B2 | Preparation of pregabalin and related compounds | PFIZER INC. (US) | 2011-10-25 | — | — | US | disclosed |
| US-7838686-B2 | Preparation of pregabalin and related compounds | PFIZER INC. (US) | 2010-11-23 | — | — | US | disclosed |
| US-20090042262-A1 | Preparation of Pregabalin and Related Compounds | PFIZER INC | 2009-02-12 | — | — | US | disclosed |