⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL959524 | 0.72 | — | — | |
| SCHEMBL7566138 | 0.72 | — | — | |
| SCHEMBL1566842 | 0.72 | — | — | |
| SCHEMBL2032242 | 0.72 | — | — | |
| SCHEMBL5576 | 0.72 | — | — | |
| SCHEMBL27718062 | 0.71 | — | — | |
| SCHEMBL12204598 | 0.71 | — | — | |
| SCHEMBL12904092 | 0.71 | — | — | |
| SCHEMBL8354946 | 0.71 | — | — | |
| SCHEMBL15941612 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8287631-B2 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20100186631-A1 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
| US-20050066453-A1 | Photochromic dye | NEW PRISMATIC ENTERPRISE CO., LTD. (TW) | 2005-03-31 | — | — | US | disclosed |
| US-5690906-A | TETRALIN DERIVATIVES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0697894-A4 | DOPAMINE D-3 AND SEROTONIN (5-HT 1A?) RECEPTOR LIGANDS AND IMAGING AGENTS | UNIV PENNSYLVANIA (US) | 1996-05-01 | — | — | EP | disclosed |
| EP-0697894-A1 | DOPAMINE D-3 AND SEROTONIN (5-HT 1A?) RECEPTOR LIGANDS AND IMAGING AGENTS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994022495-A1 | DOPAMINE D-3 AND SEROTONIN (5-HT1A) RECEPTOR LIGANDS AND IMAGING AGENTS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1994-10-13 | — | — | WO | disclosed |