⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887897 | 0.83 | — | — | |
| SCHEMBL1515206 | 0.80 | — | — | |
| SCHEMBL3679469 | 0.75 | — | — | |
| SCHEMBL23925812 | 0.74 | — | — | |
| SCHEMBL73471 | 0.68 | — | — | |
| SCHEMBL256001 | 0.67 | — | — | |
| Ethylene Glycol SCHEMBL23530347 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL2294833 | 0.65 | — | — | |
| SCHEMBL6522673 | 0.65 | — | — | |
| SCHEMBL19162410 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230141482-A1 | ODORANTS AND COMPOSITIONS COMPRISING ODORANTS | S H KELKAR & COMPANY LIMITED (IN) | 2023-05-11 | — | — | US | disclosed |
| CN-115551829-A | Odorants and compositions comprising odorants | 丝趣科尔卡有限公司 | 2022-12-30 | — | — | CN | disclosed |