⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24653282 | 0.74 | GAA (0.34) | — | |
| SCHEMBL832439 | 0.74 | — | — | |
| SCHEMBL11123805 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL20399500 | 0.74 | — | — | |
| SCHEMBL14528026 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL1840372 | 0.71 | — | — | |
| SCHEMBL13685981 | 0.71 | GAA (0.39) | — | |
| SCHEMBL15922574 | 0.70 | — | — | |
| SCHEMBL19215712 | 0.70 | APLNR (0.34) | — | |
| SCHEMBL3003968 | 0.70 | APLNR (0.39) | — |
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-2012046771-A1 | CYCLOALKANE COMPOUND | アステラス製薬株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |
| EP-2320738-A1 | SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | TransTech Pharma, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010025142-A1 | SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2010-03-04 | — | — | WO | disclosed |
| WO-2007109154-A2 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |