⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9764703 | 0.96 | — | — | |
| SCHEMBL678374 | 0.83 | — | — | |
| SCHEMBL6690728 | 0.76 | — | — | |
| SCHEMBL166683 | 0.74 | — | — | |
| SCHEMBL27512 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL27392 | 0.71 | — | — | |
| SCHEMBL10435134 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL359932 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL250138 | 0.69 | — | — | |
| SCHEMBL5370360 | 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 |
|---|---|---|---|---|---|---|---|
| WO-1996040641-A1 | SULFONAMIDE DERIVATIVES AS CELL ADHESION MODULATORS | TANABE SEIYAKU CO., LTD. (JP) | 1996-12-19 | — | — | WO | claimed |
| EP-2245014-B1 | UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2011-11-02 | — | — | EP | disclosed |
| US-20110028445-A1 | Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-03 | — | — | US | disclosed |
| EP-2245014-A1 | UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009100872-A1 | UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-20 | — | — | WO | disclosed |