⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24391126 | 1.00 | — | — | |
| SCHEMBL5401015 | 0.94 | — | — | |
| SCHEMBL2058605 | 0.79 | — | — | |
| SCHEMBL30412577 | 0.78 | CA1 (0.43) | — | |
| SCHEMBL17800114 | 0.78 | CA1 (0.43) | — | |
| SCHEMBL135551 | 0.78 | CA1 (0.43) | — | |
| SCHEMBL18782659 | 0.77 | — | — | |
| SCHEMBL11474625 | 0.76 | CA1 (0.42) | — | |
| SCHEMBL28167323 | 0.76 | CA1 (0.42) | — | |
| SCHEMBL28167378 | 0.76 | CA1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009011904-A1 | COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2009-01-22 | — | — | WO | disclosed |
| EP-1951244-A2 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062370-A2 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |
| EP-0076085-A1 | Production of monoacylpyrazines | PHILIP MORRIS INCORPORATED (US) | 1983-04-06 | — | — | EP | disclosed |