⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16175023 | 0.77 | — | — | |
| SCHEMBL23070884 | 0.73 | — | — | |
| SCHEMBL3842044 | 0.70 | CYP2D6 (0.32) | — | |
| SCHEMBL3327476 | 0.69 | DPP4 (0.37) | — | |
| SCHEMBL28604216 | 0.69 | — | — | |
| SCHEMBL3790394 | 0.68 | USP2 (0.47) | — | |
| SCHEMBL31434071 | 0.67 | USP2 (0.46) | — | |
| SCHEMBL16796938 | 0.67 | FFAR3 (0.31) | — | |
| SCHEMBL23825703 | 0.67 | DPP4 (0.37) | — | |
| SCHEMBL23825705 | 0.67 | DPP4 (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 |
|---|---|---|---|---|---|---|---|
| EP-2297153-A1 | LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009131940-A1 | LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | WO | disclosed |