⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12150579 | 0.65 | — | — | |
| SCHEMBL14415015 | 0.64 | LMNA (0.40) | — | |
| SCHEMBL2165007 | 0.62 | — | — | |
| SCHEMBL21547825 | 0.61 | — | — | |
| SCHEMBL2440961 | 0.61 | — | — | |
| SCHEMBL2869578 | 0.61 | — | — | |
| SCHEMBL21547826 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL20713187 | 0.58 | — | — | |
| SCHEMBL661972 | 0.48 | — | — | |
| Ligustrazine SCHEMBL77624 | 0.43 | LMNA (0.41) | — |
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 7 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-0468927-A2 | Derivatives of carboxymethylcyclopropane | CIBA-GEIGY AG (CH) | 1992-01-29 | — | — | EP | disclosed |
| EP-0467840-A2 | Derivatives of cyclopropyl acetic acid | CIBA-GEIGY AG (CH) | 1992-01-22 | — | — | EP | disclosed |