⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22395481 | 0.81 | — | — | |
| SCHEMBL5870578 | 0.80 | — | — | |
| SCHEMBL9587626 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL15486360 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL4706544 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL30277942 | 0.77 | — | — | |
| SCHEMBL13125208 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL29743212 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL28759113 | 0.75 | LMNA (0.31) | — | |
| SCHEMBL9055782 | 0.73 | — | — |
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-112898935-B | Method for improving physical properties of PUR sealant and application thereof | 上海科谷纳新材料科技有限公司 | 2022-12-23 | — | — | CN | claimed |
| CN-112898935-A | Method for improving physical properties of PUR sealant and application thereof | 上海科谷纳新材料科技有限公司 | 2021-06-04 | — | — | CN | claimed |