⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28073243 | 0.98 | NAPRT (0.39) | — | |
| SCHEMBL5082291 | 0.63 | NAPRT (0.54) | — | |
| SCHEMBL13359388 | 0.63 | NAPRT (0.54) | — | |
| SCHEMBL150334 | 0.62 | LMNA (0.77) | — | |
| SCHEMBL219222 | 0.62 | LCK (0.57) | — | |
| Hydrochloric Acid SCHEMBL28136989 | 0.62 | NAPRT (0.52) | — | |
| SCHEMBL1156714 | 0.62 | KDM4E (0.50) | — | |
| SCHEMBL10336471 | 0.62 | NAPRT (0.41) | — | |
| SCHEMBL13825980 | 0.62 | KDM4E (0.50) | — | |
| SCHEMBL8438731 | 0.60 | KDM4E (0.65) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1273584-A | Imidazolyl-cyclic acetals | RHONE POULENC RORER LTD (GB) | 2000-11-15 | — | — | CN | claimed |
| US-20100120791-A1 | CYCLOHEXYL SULFONAMIDE DERIVATIVES | NETTEKOVEN MATTHIAS | 2010-05-13 | — | — | US | disclosed |
| US-20070173511-A1 | Cyclohexyl sulfonamide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-26 | — | — | US | disclosed |
| EP-1603893-A1 | EP4 RECEPTOR ANTAGONISTS | Pharmagene Laboratories Ltd (GB) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004067524-A1 | EP4 RECEPTOR ANTAGONISTS | PHARMAGENE LABORATORIES LIMITED (GB) | 2004-08-12 | — | — | WO | disclosed |
| CN-1443179-A | Aniline derivatives | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | CN | disclosed |
| CN-1273584-A | Imidazolyl-cyclic acetals | RHONE POULENC RORER LTD (GB) | 2000-11-15 | — | — | CN | disclosed |