⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9908993 | 1.00 | — | — | |
| SCHEMBL9876742 | 0.72 | — | — | |
| SCHEMBL11340891 | 0.70 | — | — | |
| SCHEMBL11009755 | 0.68 | ALOX15 (0.31) | — | |
| SCHEMBL11403878 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL11150024 | 0.67 | — | — | |
| SCHEMBL11221717 | 0.67 | — | — | |
| SCHEMBL11221714 | 0.67 | — | — | |
| SCHEMBL11224093 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL11089412 | 0.67 | ALOX15 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110092716-A1 | DEHYDROHALOGENATION PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN PROVIDING 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS | KWOK DAW-LONG | 2011-04-21 | — | — | US | disclosed |
| US-20090281331-A1 | METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-12 | — | — | US | disclosed |