⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1576970 | 0.97 | — | — | |
| Resorcinol SCHEMBL28101708 | 0.78 | — | — | |
| SCHEMBL713815 | 0.75 | — | — | |
| Resorcinol SCHEMBL326229 | 0.75 | CA12 (1.00) | — | |
| Resorcinol SCHEMBL15515 | 0.75 | — | — | |
| Resorcinol SCHEMBL138369 | 0.73 | CA12 (0.80) | — | |
| Resorcinol SCHEMBL9715682 | 0.73 | CA12 (0.80) | — | |
| Resorcinol SCHEMBL11679916 | 0.72 | CA12 (0.92) | — | |
| Resorcinol SCHEMBL20577903 | 0.72 | — | — | |
| Resorcinol SCHEMBL563023 | 0.72 | CA12 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107880480-A | A kind of nano material modified phenolic resins and preparation method thereof | 航天特种材料及工艺技术研究所 | 2018-04-06 | — | — | CN | disclosed |
| CN-107880481-A | A kind of layered double-hydroxide and preparation method thereof | 航天特种材料及工艺技术研究所 | 2018-04-06 | — | — | CN | disclosed |