⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1414863 | 0.78 | KDM4E (0.45) | — | |
| SCHEMBL13049960 | 0.78 | KDM4E (0.45) | — | |
| SCHEMBL1522719 | 0.76 | — | — | |
| SCHEMBL13873989 | 0.76 | — | — | |
| SCHEMBL223822 | 0.74 | — | — | |
| SCHEMBL1164031 | 0.74 | — | — | |
| SCHEMBL225706 | 0.73 | — | — | |
| SCHEMBL4104800 | 0.72 | — | — | |
| SCHEMBL8645292 | 0.70 | KDM4E (0.37) | — | |
| SCHEMBL17850496 | 0.70 | GSK3B (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0577555-B1 | Derivatives of carboxylic acids | CIBA GEIGY AG (CH) | 1997-11-05 | — | — | EP | disclosed |
| US-5578595-A | PESTICIDES | CIBA-GEIGY CORPORATION (US) | 1996-11-26 | — | — | US | disclosed |
| US-5481013-A | INSECTICIDES, MITICIDES, CROPS | CIBA-GEIGY CORPORATION (US) | 1996-01-02 | — | — | US | disclosed |
| US-5326901-A | 3-butenoic acid derivatives as intermediates for pesticides | CIBA-GEIGY CORPORATION (US) | 1994-07-05 | — | — | US | disclosed |
| EP-0577555-A1 | Derivatives of carboxylic acids | CIBA-GEIGY AG (CH) | 1994-01-05 | — | — | EP | disclosed |
| EP-0467840-A2 | Derivatives of cyclopropyl acetic acid | CIBA-GEIGY AG (CH) | 1992-01-22 | — | — | EP | disclosed |