⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL536916 | 0.79 | APEX1 (0.35) | — | |
| SCHEMBL13685332 | 0.79 | APEX1 (0.35) | — | |
| SCHEMBL28038498 | 0.76 | — | — | |
| SCHEMBL20684448 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL475010 | 0.73 | APEX1 (0.33) | — | |
| SCHEMBL8150337 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL3311523 | 0.72 | APEX1 (0.31) | — | |
| SCHEMBL13685385 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL642406 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1543776 | 0.72 | PTGS1 (0.30) | — |
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-RE35185-E | Separation media containing acyl diazepines | COHESIVE TECHNOLOGIES, INC. (US) | 1996-03-19 | — | — | US | disclosed |
| US-RE35186-E | Separation media containing acyl diazepines | COHESIVE TECHNOLOGIES, INC. (US) | 1996-03-19 | — | — | US | disclosed |
| US-5158682-A | Separation media containing acyl diazepines | POLYSEP SURFACE TECHNOLOGIES INC. (US) | 1992-10-27 | — | — | US | disclosed |
| US-5159039-A | Separation media containing acyl diazepines | POLYSEP SURFACE TECHNOLOGIES INC. (US) | 1992-10-27 | — | — | US | disclosed |
| US-4987061-A | POLYMERIZED MONOMER CONTAINING UREA OR URETHANE GROUP | REEL/FRAME AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) | 1991-01-22 | — | — | US | disclosed |