⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78645 | 0.95 | — | — | |
| SCHEMBL29188576 | 0.91 | — | — | |
| SCHEMBL27937467 | 0.91 | — | — | |
| SCHEMBL11557819 | 0.91 | — | — | |
| Methane SCHEMBL28231703 | 0.70 | — | — | |
| SCHEMBL27241848 | 0.68 | — | — | |
| SCHEMBL2175582 | 0.68 | MEN1 (0.75) | — | |
| SCHEMBL26813 | 0.68 | MEN1 (0.75) | — | |
| SCHEMBL338521 | 0.68 | MEN1 (0.75) | — | |
| SCHEMBL2701677 | 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 |
|---|---|---|---|---|---|---|---|
| CN-107235847-B | A kind of preparation method of 2- amino-n-butyl alcohol | 嘉兴润博化工科技有限公司 | 2019-09-10 | — | — | CN | disclosed |
| US-5858953-A | CONTAINS NITROMETHANE, 1,2-BUTYLENE OXIDE OR TRIMETHOXYMETHANE; MAINTAINS STABILITY AT HIGH TEMPERATURE OVER EXTENDED PERIODS OF TIME AS IN VAPOR DEGREASING | TOSOH CORPORATION (JP) | 1999-01-12 | — | — | US | disclosed |