⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9822972 | 1.00 | — | — | |
| SCHEMBL5317537 | 0.86 | — | — | |
| SCHEMBL27665944 | 0.74 | — | — | |
| SCHEMBL447293 | 0.74 | — | — | |
| SCHEMBL10439957 | 0.71 | — | — | |
| SCHEMBL27608002 | 0.69 | NOS2 (0.33) | — | |
| SCHEMBL3817537 | 0.68 | — | — | |
| SCHEMBL6180573 | 0.67 | NOS2 (0.35) | — | |
| SCHEMBL4313223 | 0.67 | NOS2 (0.35) | — | |
| SCHEMBL3978600 | 0.67 | NOS2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998039295-A1 | (R)N-(1-CYCLOPROPYLMETHYLPYRROLIDIN-2-YLMETHYL)BENZAMIDE AND ITS USE AS AN ANTIDIARRHOEAL | JOUVEINAL (FR) | 1998-09-11 | — | — | WO | disclosed |