⚠ 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27840519 | 0.86 | TDP1 (0.33) | — | |
| SCHEMBL5986534 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL7337612 | 0.76 | — | — | |
| SCHEMBL30441905 | 0.70 | — | — | |
| SCHEMBL27451482 | 0.66 | — | — | |
| SCHEMBL27380013 | 0.66 | — | — | |
| Water SCHEMBL28246852 | 0.64 | — | — | |
| Water SCHEMBL28184850 | 0.64 | — | — | |
| Water SCHEMBL27837409 | 0.64 | — | — | |
| SCHEMBL27940973 | 0.64 | PIK3CA (0.32) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1543455-B | 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same | SANKYO AGRO CO LTD | 2012-07-11 | — | — | CN | disclosed |
| CN-1922139-B | Bicyclic amide derivatives | KYORIN SEIYAKU KK | 2010-12-29 | — | — | CN | disclosed |
| CN-101921279-A | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORP | 2010-12-22 | — | — | CN | disclosed |
| CN-101674831-A | Piperidinylpiperidine and piperazinylpiperidine for the treatment of diabetes or pain | SCHERING CORP | 2010-03-17 | — | — | CN | disclosed |
| CN-100549004-C | Spirocyclic heterocyclic derivatives and methods of use thereof | ADOLOR CORP (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-100441579-C | Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors | TANABE SEIYAKU CO (JP) | 2008-12-10 | — | — | CN | disclosed |
| CN-100339376-C | Nitrogen-containing aromatic ring derivatives | EISAI CO LTD (JP) | 2007-09-26 | — | — | CN | disclosed |
| CN-1942479-A | Thienopyrroles as antagonists of GnRH | ASTRAZENECA AB (SE) | 2007-04-04 | — | — | CN | disclosed |
| CN-1942190-A | Pyrrole derivatives as gonadotropin releasing hormone (GnRH) antagonists | ASTRAZENECA AB (SE) | 2007-04-04 | — | — | CN | disclosed |
| CN-1938301-A | Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors | TANABE SEIYAKU CO (JP) | 2007-03-28 | — | — | CN | disclosed |
| CN-1922169-A | Spirocyclic heterocyclic derivatives and methods of use thereof | ADOLOR CORP (US) | 2007-02-28 | — | — | CN | disclosed |
| CN-1276914-C | Novel Cyclohexyl Sulfone Compounds | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | CN | disclosed |
| CN-1684966-A | Novel adenine compound and use thereof | SUMITOMO PHARMA (JP) | 2005-10-19 | — | — | CN | disclosed |
| CN-1678607-A | Nitrogen-containing aromatic ring derivatives | EISAI CO LTD (JP) | 2005-10-05 | — | — | CN | disclosed |
| CN-1206219-C | N-ureidoalkyl-piperidines as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2005-06-15 | — | — | CN | disclosed |
| CN-1545501-A | Novel cyclohexyl sulphones | Ĭ�ˡ�����-��ķ��˾ | 2004-11-10 | — | — | CN | disclosed |
| CN-1543455-A | 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same | 三共农业株式会社 | 2004-11-03 | — | — | CN | disclosed |
| CN-1136191-C | Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists | ������ҩ������˾ | 2004-01-28 | — | — | CN | disclosed |
| CN-1301253-A | Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists | AVENTIS PHARMACEUTICAL INC (US) | 2001-06-27 | — | — | CN | disclosed |