⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2436967 | 0.95 | — | — | |
| SCHEMBL2673684 | 0.86 | — | — | |
| SCHEMBL5647865 | 0.86 | — | — | |
| SCHEMBL7143074 | 0.86 | CHRM2 (0.33) | — | |
| SCHEMBL4731656 | 0.84 | CHRM2 (0.34) | — | |
| SCHEMBL2590537 | 0.83 | — | — | |
| SCHEMBL5088185 | 0.77 | — | — | |
| SCHEMBL12540087 | 0.73 | — | — | |
| SCHEMBL12814668 | 0.73 | — | — | |
| SCHEMBL948432 | 0.70 | SSTR4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2547684-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | University of Basel (CH) | 2013-01-23 | — | — | EP | claimed |
| WO-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | claimed |
| US-8524896-B2 | Chemical compounds | SYNGENTA CROP PROTECTION LLC (US) | 2013-09-03 | — | — | US | disclosed |
| EP-2547684-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | University of Basel (CH) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | disclosed |
| US-20110009261-A1 | CHEMICAL COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2011-01-13 | — | — | US | disclosed |
| EP-2265579-A2 | 2-CYANOBENZENSULFONAMIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES | Syngenta Participations AG (CH) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009109539-A2 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2009-09-11 | — | — | WO | disclosed |