⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL963193 | 1.00 | — | — | |
| SCHEMBL8574825 | 1.00 | — | — | |
| SCHEMBL8318230 | 1.00 | — | — | |
| SCHEMBL3496163 | 0.71 | — | — | |
| Propylene Oxide SCHEMBL187161 | 0.71 | — | — | |
| SCHEMBL10871904 | 0.71 | — | — | |
| Propylene Oxide SCHEMBL1292008 | 0.71 | — | — | |
| Propylene Oxide SCHEMBL65104 | 0.71 | — | — | |
| Propylene Oxide SCHEMBL2711413 | 0.71 | — | — | |
| SCHEMBL409272 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130040934-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2013-02-14 | — | — | US | claimed |
| 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-20130040934-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2013-02-14 | — | — | 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-5821240-A | ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS | DR. KARL THOMAE GMBH (DE) | 1998-10-13 | — | — | US | disclosed |