⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9389010 | 0.79 | — | — | |
| SCHEMBL1704859 | 0.75 | — | — | |
| SCHEMBL15907952 | 0.75 | — | — | |
| SCHEMBL7967924 | 0.69 | — | — | |
| SCHEMBL14727551 | 0.69 | — | — | |
| SCHEMBL7475854 | 0.69 | — | — | |
| SCHEMBL10794583 | 0.69 | — | — | |
| SCHEMBL2976546 | 0.69 | — | — | |
| SCHEMBL11570515 | 0.69 | — | — | |
| SCHEMBL16229091 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2456436-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | Theravance, Inc. (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011231-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2011-01-27 | — | — | WO | disclosed |