⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3185782 | 0.77 | CYP2A6 (0.36) | — | |
| SCHEMBL10459073 | 0.72 | — | — | |
| SCHEMBL84678 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5359669 | 0.70 | — | — | |
| Iodide SCHEMBL29051968 | 0.70 | — | — | |
| Bromide SCHEMBL29051995 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL16333503 | 0.70 | — | — | |
| SCHEMBL7432515 | 0.69 | — | — | |
| SCHEMBL22626273 | 0.69 | — | — | |
| SCHEMBL3280929 | 0.67 | — | — |
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-5032588-A | Non-steroidal antiinflammatory | ABBOTT LABORATORIES (US) | 1991-07-16 | — | — | US | disclosed |
| WO-1991008744-A1 | THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS | ABBOTT LABORATORIES (US) | 1991-06-27 | — | — | WO | disclosed |