⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5186250 | 0.65 | — | — | |
| SCHEMBL37682 | 0.63 | — | — | |
| SCHEMBL11283403 | 0.60 | — | — | |
| SCHEMBL28225687 | 0.60 | — | — | |
| SCHEMBL3107279 | 0.59 | — | — | |
| SCHEMBL7948270 | 0.59 | — | — | |
| SCHEMBL19921920 | 0.59 | — | — | |
| SCHEMBL11989009 | 0.56 | — | — | |
| SCHEMBL668061 | 0.56 | — | — | |
| SCHEMBL7131757 | 0.56 | — | — |
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-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | disclosed |