⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4216 | 0.72 | — | — | |
| SCHEMBL5779689 | 0.70 | — | — | |
| SCHEMBL547904 | 0.68 | CYP1A2 (0.46) | — | |
| SCHEMBL28802266 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL1947333 | 0.65 | PDPK1 (0.50) | — | |
| SCHEMBL374642 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL136316 | 0.65 | CYP1A2 (0.43) | — | |
| SCHEMBL3015544 | 0.64 | ALOX5 (0.45) | — | |
| SCHEMBL2388664 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL10468234 | 0.63 | NOS1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100105894-A1 | Cyclopropane compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. | 2010-04-29 | — | — | US | disclosed |
| EP-1694410-B1 | CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2010-04-14 | — | — | EP | disclosed |
| US-20080306258-A1 | Cyclopropane compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. | 2008-12-11 | — | — | US | disclosed |
| US-20080261994-A1 | CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. | 2008-10-23 | — | — | US | disclosed |
| US-7351825-B2 | Cyclopropane compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2008-04-01 | — | — | US | disclosed |
| US-20060199826-A1 | Cyclopropane compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2006-09-07 | — | — | US | disclosed |