⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6840690 | 0.69 | — | — | |
| SCHEMBL27741047 | 0.67 | — | — | |
| SCHEMBL1164248 | 0.67 | — | — | |
| SCHEMBL28801474 | 0.67 | — | — | |
| SCHEMBL10752188 | 0.66 | — | — | |
| SCHEMBL9331311 | 0.65 | — | — | |
| SCHEMBL392874 | 0.64 | — | — | |
| SCHEMBL6057372 | 0.63 | — | — | |
| SCHEMBL4682330 | 0.63 | — | — | |
| SCHEMBL6300349 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4577028-A | 5-Haloalkyl-pyridines | CIBA-GEIGY CORPORATION (US) | 1986-03-18 | — | — | US | claimed |
| JP-3014533-A | — | — | None | — | — | JP | disclosed |
| JP-H0314533-A | NEW ALDEHYDES AND PREPARATION THEREOF | CIBA GEIGY AG | 1991-01-23 | — | — | JP | disclosed |
| EP-0078234-B1 | 5-HYLOGENALKYL PYRIDINES | CIBA-GEIGY AG (CH) | 1990-07-04 | — | — | EP | disclosed |
| US-4577028-A | 5-Haloalkyl-pyridines | CIBA-GEIGY CORPORATION (US) | 1986-03-18 | — | — | US | disclosed |
| EP-0078234-A2 | 5-Hylogenalkyl pyridines | CIBA-GEIGY AG (CH) | 1983-05-04 | — | — | EP | disclosed |