⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2397283 | 0.73 | — | — | |
| SCHEMBL9705350 | 0.69 | ALDH1A1 (0.35) | — | |
| Trichloroacetic Acid SCHEMBL701764 | 0.69 | ALDH1A1 (0.62) | — | |
| Trichloroacetic Acid SCHEMBL4563279 | 0.69 | ALDH1A1 (0.62) | — | |
| Trichloroacetic Acid SCHEMBL1062069 | 0.68 | — | — | |
| Trichloroacetic Acid SCHEMBL30864429 | 0.68 | TSHR (0.91) | — | |
| SCHEMBL22618184 | 0.67 | ALDH1A1 (0.33) | — | |
| Ethylene SCHEMBL10004443 | 0.67 | ALDH1A1 (0.33) | — | |
| Ethylene SCHEMBL30382757 | 0.65 | — | — | |
| SCHEMBL5212665 | 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-5493028-A | Processes for producing 2-Halo-nicotinic acid derivatives and precursors thereto | REILLY INDUSTRIES, INC. (US) | 1996-02-20 | — | — | US | disclosed |