⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1302075 | 0.87 | KDM4E (0.31) | — | |
| SCHEMBL15545959 | 0.63 | EPHX2 (0.47) | — | |
| SCHEMBL2722264 | 0.61 | MEN1 (0.48) | — | |
| SCHEMBL8958406 | 0.61 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL584618 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL15902219 | 0.61 | TLR7 (0.46) | — | |
| SCHEMBL9468149 | 0.60 | TSHR (0.46) | — | |
| SCHEMBL8958401 | 0.59 | MEN1 (0.52) | — | |
| SCHEMBL8958237 | 0.59 | MEN1 (0.52) | — | |
| SCHEMBL8958557 | 0.59 | MEN1 (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168802-B2 | Ring closing and related methods and intermediates | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110269965-A1 | Ring Closing and Related Methods and Intermediates | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2011-11-03 | — | — | US | disclosed |
| EP-1863770-A2 | RING CLOSING AND RELATED METHODS AND INTERMEDIATES | Coley Pharmaceutical Group, Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006121528-A2 | RING CLOSING AND RELATED METHODS AND INTERMEDIATES | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2006-11-16 | — | — | WO | disclosed |