⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4634539 | 0.82 | — | — | |
| SCHEMBL467738 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL27563435 | 0.73 | — | — | |
| SCHEMBL1331944 | 0.71 | — | — | |
| SCHEMBL7240952 | 0.71 | — | — | |
| SCHEMBL27912512 | 0.71 | MAPK1 (0.31) | — | |
| SCHEMBL10940023 | 0.71 | — | — | |
| SCHEMBL1296 | 0.71 | — | — | |
| SCHEMBL28085594 | 0.69 | — | — | |
| SCHEMBL16345057 | 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-109641482-B | Preparation of cis-1, 4-polydienes having multiple silane functional groups prepared by in situ hydrosilylation of polymer glues | 株式会社普利司通 | 2021-11-05 | — | — | CN | disclosed |
| US-20120276483-A1 | PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-11-01 | — | — | US | disclosed |