⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL109960 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL23067 | 0.72 | — | — | |
| SCHEMBL27543584 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL28612 | 0.68 | — | — | |
| SCHEMBL3840102 | 0.67 | — | — | |
| SCHEMBL6992690 | 0.67 | — | — | |
| SCHEMBL10308365 | 0.67 | TSHR (0.42) | — | |
| 2-Oxoisovalerate SCHEMBL1462512 | 0.67 | TP53 (0.41) | — | |
| SCHEMBL10308369 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL107888 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389616-B1 | 3,4-Dihalobenzylpiperidine derivatives and their medical use | MITSUBISHI TANABE PHARMA CORP (JP) | 2011-07-27 | — | — | EP | disclosed |
| EP-2042502-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-1544199-B1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2008-07-03 | — | — | US | disclosed |
| US-7211572-B2 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-05-01 | — | — | US | disclosed |
| US-7115635-B2 | Benzylpiperidine compound | MITSUBISHI PHARMA CORPORATION (JP) | 2006-10-03 | — | — | US | disclosed |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2006-03-09 | — | — | US | disclosed |
| EP-1544199-A1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| US-20040158071-A1 | Chemokine inhibitors and stability in blood | MITSUBISHI PHARMA CORPORATION (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1389616-A1 | NOVEL BENZYLPIPERIDINE COMPOUND | Mitsubishi Pharma Corporation (JP) | 2004-02-18 | — | — | EP | disclosed |