⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4988840 | 0.79 | METAP2 (0.30) | — | |
| SCHEMBL4623912 | 0.77 | METAP2 (0.35) | — | |
| SCHEMBL3226179 | 0.75 | KDR (0.35) | — | |
| SCHEMBL9590371 | 0.74 | MGAM (0.40) | — | |
| SCHEMBL434158 | 0.73 | METAP2 (0.43) | — | |
| SCHEMBL12615990 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL5512822 | 0.71 | — | — | |
| SCHEMBL4190285 | 0.71 | CSNK1A1 (0.42) | — | |
| SCHEMBL352751 | 0.71 | — | — | |
| SCHEMBL9323558 | 0.70 | PIK3CD (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0960108-B1 | MATRIX METALLOPROTEINASE INHIBITORS | PHARMACIA ITALIA SPA (IT) | 2004-10-27 | — | — | EP | claimed |
| EP-0115997-A2 | Derivatives of omega mercaptopropanamides, and their homologues, process for their preparation, their use as medicines, compositions containing them and intermediates obtained | ROUSSEL-UCLAF (FR) | 1984-08-15 | — | — | EP | claimed |
| EP-1653968-A4 | METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS | SYNTA PHARMACEUTICALS CORP (US) | 2006-09-06 | — | — | EP | disclosed |
| EP-1653968-A2 | METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS | Synta Pharmaceuticals Corporation (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005009954-A2 | METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS | SYNTA PHARMACEUTICALS, CORP. (US) | 2005-02-03 | — | — | WO | disclosed |
| EP-0960108-B1 | MATRIX METALLOPROTEINASE INHIBITORS | PHARMACIA ITALIA SPA (IT) | 2004-10-27 | — | — | EP | disclosed |
| EP-0267565-A1 | One-step process for preparing mixed substituted 1,2-diacyl-sn-glycero-3-phosphocholines | Hafslund Nycomed Pharma Aktiengesellschaft (AT) | 1988-05-18 | — | — | EP | disclosed |