⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11006230 | 0.82 | — | — | |
| 2-Mercaptoethanol SCHEMBL11686290 | 0.76 | — | — | |
| SCHEMBL10074744 | 0.72 | — | — | |
| SCHEMBL8126805 | 0.71 | — | — | |
| SCHEMBL9707637 | 0.71 | SLC7A5 (0.36) | — | |
| SCHEMBL11687019 | 0.70 | — | — | |
| SCHEMBL2679350 | 0.70 | — | — | |
| SCHEMBL8087347 | 0.69 | CA2 (0.36) | — | |
| SCHEMBL10577901 | 0.67 | — | — | |
| SCHEMBL1087661 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4031257-A | CHEWING GUM, MEDICINAL PRODUCTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-21 | — | — | US | claimed |
| US-4042601-A | ORGANOLEPTIC, FOODS, CHEWING GUM, MEDICINES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-16 | — | — | US | disclosed |
| US-4031257-A | CHEWING GUM, MEDICINAL PRODUCTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-21 | — | — | US | disclosed |