⚠ 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 | |
|---|---|---|---|---|
| Butyl Formate SCHEMBL5847 | 0.97 | — | — | |
| Butyl Formate SCHEMBL29688477 | 0.97 | ATM (0.42) | — | |
| Butyl Formate SCHEMBL27364215 | 0.94 | — | — | |
| Butyl Formate SCHEMBL27674015 | 0.94 | — | — | |
| Butyl Formate SCHEMBL27520525 | 0.94 | — | — | |
| Butyl Formate SCHEMBL3206729 | 0.94 | — | — | |
| Butyl Formate SCHEMBL27029705 | 0.94 | — | — | |
| Butyl Formate SCHEMBL6599284 | 0.94 | — | — | |
| Butyl Formate SCHEMBL28320458 | 0.94 | — | — | |
| Butyl Formate SCHEMBL28806060 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105200824-A | Aid capable of improving cotton and linen dyeing performance | TONGXIANG WANDALI ELECTRICAL APPLIANCES CO LTD | 2015-12-30 | — | — | CN | claimed |
| CN-105200824-A | Aid capable of improving cotton and linen dyeing performance | TONGXIANG WANDALI ELECTRICAL APPLIANCES CO LTD | 2015-12-30 | — | — | CN | disclosed |
| CN-105200824-A | Aid capable of improving cotton and linen dyeing performance | TONGXIANG WANDALI ELECTRICAL APPLIANCES CO LTD | 2015-12-30 | — | — | CN | disclosed |