⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23029003 | 1.00 | — | — | |
| SCHEMBL20853060 | 0.78 | — | — | |
| SCHEMBL10465603 | 0.72 | NPC1 (0.36) | — | |
| SCHEMBL21558183 | 0.72 | TDP1 (0.39) | — | |
| SCHEMBL19343655 | 0.69 | — | — | |
| SCHEMBL6518837 | 0.69 | — | — | |
| SCHEMBL22142906 | 0.69 | — | — | |
| SCHEMBL21894241 | 0.69 | — | — | |
| SCHEMBL17080725 | 0.69 | — | — | |
| SCHEMBL18903786 | 0.69 | — | — |
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-4923993-A | Process for the preparation of 2-pyridinecarboxylic acid derivatives and 1-amino-1,4-dihydropyridine-2-carboxylic acid derivatives | CIBA-GEIGY CORPORATION (US) | 1990-05-08 | — | — | US | disclosed |
| EP-0221023-A2 | Process for the preparation of pyridine-2-carboxylic-acid derivatives and 1-amino-1,4-dihydropyridine-2-carboxylic-acid derivatives | CIBA-GEIGY AG (CH) | 1987-05-06 | — | — | EP | disclosed |