⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9255230 | 0.97 | LMNA (0.40) | — | |
| SCHEMBL23456711 | 0.84 | LMNA (0.48) | — | |
| SCHEMBL7819856 | 0.83 | — | — | |
| SCHEMBL7834683 | 0.81 | LMNA (0.40) | — | |
| SCHEMBL28187977 | 0.80 | LDHA (0.35) | — | |
| SCHEMBL7826082 | 0.79 | LMNA (0.38) | — | |
| SCHEMBL9255223 | 0.78 | — | — | |
| SCHEMBL12987414 | 0.77 | LMNA (0.47) | — | |
| SCHEMBL1868226 | 0.77 | — | — | |
| SCHEMBL38157 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0413666-B1 | Butyric acid derivatives | CIBA GEIGY AG (CH) | 1994-04-13 | — | — | EP | claimed |
| CN-1049495-A | Butyro-derivative | CIBA GEIGY AG (CH) | 1991-02-27 | — | — | CN | claimed |
| US-5439908-A | Insecticides | CIBA-GEIGY CORPORATION (US) | 1995-08-08 | — | — | US | disclosed |
| US-5358957-A | Agrochemicals; pesticides | CIBA-GEIGY CORPORATION (US) | 1994-10-25 | — | — | US | disclosed |
| US-5179121-A | Pesticides | CIBA-GEIGY CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |
| CN-1059140-A | THIOBUTYRIC ACID DERIVATIVES | CIBA GEIGY AG (CH) | 1992-03-04 | — | — | CN | disclosed |
| CN-1049495-A | Butyro-derivative | CIBA GEIGY AG (CH) | 1991-02-27 | — | — | CN | disclosed |
| EP-0413666-A1 | Butyric acid derivatives | CIBA-GEIGY AG (CH) | 1991-02-20 | — | — | EP | disclosed |