⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13759557 | 1.00 | — | — | |
| SCHEMBL5173148 | 1.00 | — | — | |
| SCHEMBL11387348 | 0.79 | — | — | |
| SCHEMBL16273091 | 0.78 | TDP1 (0.30) | — | |
| SCHEMBL15710580 | 0.74 | — | — | |
| SCHEMBL15710579 | 0.74 | — | — | |
| SCHEMBL2164098 | 0.71 | — | — | |
| SCHEMBL126914 | 0.71 | — | — | |
| SCHEMBL2164096 | 0.71 | — | — | |
| SCHEMBL126913 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8026245-B2 | HIV replication inhibiting purine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-27 | — | — | US | disclosed |
| EP-1833894-A1 | PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL | Pirelli & C. S.p.A. (IT) | 2007-09-19 | — | — | EP | disclosed |
| EP-1778753-A1 | THERMOPLASTIC ELASTOMERIC MATERIAL AND PROCESS FOR ITS MANUFACTURING | Pirelli & C. S.p.A. (IT) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006063606-A1 | PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL | PIRELLI & C. S.P.A. (IT) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006012912-A1 | THERMOPLASTIC ELASTOMERIC MATERIAL AND PROCESS FOR ITS MANUFACTURING | PIRELLI & C. S.P.A. (IT) | 2006-02-09 | — | — | WO | disclosed |
| EP-0135719-B1 | ALPHA-TERTIARY NITRILES, THEIR PREPARATION AND THEIR UTILIZATION AS AROMATIC COMPOUNDS | Consortium für elektrochemische Industrie GmbH (DE) | 1987-01-28 | — | — | EP | disclosed |
| US-4625046-A | Alpha-tertiary nitriles | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1986-11-25 | — | — | US | disclosed |
| EP-0135719-A1 | Alpha-tertiary nitriles, their preparation and their utilization as aromatic compounds | Consortium für elektrochemische Industrie GmbH (DE) | 1985-04-03 | — | — | EP | disclosed |