⚠ 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 | |
|---|---|---|---|---|
| Chromone SCHEMBL4013021 | 0.85 | MAOA (0.30) | — | |
| Coumarin SCHEMBL3632884 | 0.79 | CA12 (0.48) | — | |
| Coumarin SCHEMBL3710909 | 0.72 | CA12 (0.57) | — | |
| Piperidine SCHEMBL6167924 | 0.71 | — | — | |
| Coumarin SCHEMBL28816458 | 0.65 | CA12 (0.69) | — | |
| Piperidine SCHEMBL5332373 | 0.64 | OXTR (0.43) | — | |
| Phenothiazine SCHEMBL7018445 | 0.61 | CA12 (0.31) | — | |
| Morpholine SCHEMBL3808001 | 0.61 | MEN1 (0.42) | — | |
| Aziridine SCHEMBL31305856 | 0.61 | OXTR (0.47) | — | |
| Coumarin SCHEMBL27928273 | 0.59 | CA12 (0.77) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074126-A2 | SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049105-A2 | SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |
| EP-1558579-A1 | N-ALKYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES AS ANTIMICROBIALS | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004043927-A1 | N-ALKYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES AS ANTIMICROBIALS | THE PROCTER & GAMBLE COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| EP-1392299-A1 | ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY | THE PROCTER & GAMBLE COMPANY (US) | 2004-03-03 | — | — | EP | disclosed |
| EP-1265887-A2 | CARBOCYCLIC SIDE CHAIN CONTAINING METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 2002-12-18 | — | — | EP | disclosed |
| WO-2002094266-A1 | ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY | THE PROCTER & GAMBLE COMPANY (US) | 2002-11-28 | — | — | WO | disclosed |
| WO-2001070682-A2 | CARBOCYCLIC SIDE CHAIN CONTAINING METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |