⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11779167 | 0.67 | ALDH1A1 (0.59) | — | |
| SCHEMBL9405274 | 0.65 | — | — | |
| SCHEMBL9596061 | 0.64 | — | — | |
| SCHEMBL11031636 | 0.64 | — | — | |
| SCHEMBL7646647 | 0.64 | GAA (0.39) | — | |
| SCHEMBL8519192 | 0.64 | — | — | |
| SCHEMBL7696373 | 0.64 | GAA (0.42) | — | |
| SCHEMBL7648501 | 0.63 | MAPT (0.43) | — | |
| SCHEMBL11575805 | 0.61 | ALDH1A1 (0.53) | — | |
| SCHEMBL11035316 | 0.60 | ALDH1A1 (0.51) | — |
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-4436903-A | Process for the production of 7 β-substituted-3-unsubstituted-3-cephem-4-carboxylic acid compounds | CIBA-GEIGY CORPORATION (US) | 1984-03-13 | — | — | US | claimed |
| US-4436903-A | Process for the production of 7 β-substituted-3-unsubstituted-3-cephem-4-carboxylic acid compounds | CIBA-GEIGY CORPORATION (US) | 1984-03-13 | — | — | US | disclosed |