⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3798872 | 0.76 | — | — | |
| SCHEMBL3797084 | 0.69 | KMT2A (0.36) | — | |
| SCHEMBL298185 | 0.69 | CRHBP (0.34) | — | |
| SCHEMBL297498 | 0.65 | — | — | |
| SCHEMBL4147880 | 0.65 | — | — | |
| SCHEMBL23049158 | 0.61 | ALOX15 (0.38) | — | |
| SCHEMBL4368906 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL3790098 | 0.61 | CRHBP (0.30) | — | |
| SCHEMBL298091 | 0.61 | NOTUM (0.30) | — | |
| SCHEMBL16264292 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009153179-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |