⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2471794 | 0.72 | — | — | |
| SCHEMBL3891689 | 0.71 | — | — | |
| SCHEMBL688775 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL1115333 | 0.69 | — | — | |
| SCHEMBL3900595 | 0.69 | — | — | |
| SCHEMBL9876483 | 0.69 | CA12 (0.37) | — | |
| SCHEMBL20087414 | 0.67 | LAP3 (0.38) | — | |
| SCHEMBL29828565 | 0.67 | — | — | |
| SCHEMBL7533595 | 0.65 | — | — | |
| SCHEMBL8595019 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5010201-A | Process for the preparation of substituted 2-chloropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |