⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5475 | 0.97 | — | — | |
| SCHEMBL1968553 | 0.97 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL22720516 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28064811 | 0.94 | — | — | |
| SCHEMBL15208028 | 0.94 | — | — | |
| SCHEMBL28180429 | 0.91 | TSHR (0.30) | — | |
| Benzene SCHEMBL28295007 | 0.88 | GABRA1 (0.33) | — | |
| SCHEMBL11491249 | 0.88 | — | — | |
| Hexane SCHEMBL28198094 | 0.88 | NAAA (0.42) | — | |
| Benzene SCHEMBL11857805 | 0.88 | GABRA1 (0.33) | — |
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-3998866-A | PESTICIDES, POST-EMERGENCE HERBICIDES AND POLYMER INTERMEDIATES | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1976-12-21 | — | — | US | disclosed |