⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25291155 | 0.79 | — | — | |
| SCHEMBL25287699 | 0.77 | — | — | |
| SCHEMBL2204380 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL18535361 | 0.64 | — | — | |
| SCHEMBL29980370 | 0.63 | CA1 (0.33) | — | |
| SCHEMBL24667270 | 0.61 | CA1 (0.32) | — | |
| SCHEMBL25293087 | 0.61 | — | — | |
| SCHEMBL23339280 | 0.61 | PSEN1 (0.30) | — | |
| SCHEMBL18535368 | 0.61 | — | — | |
| SCHEMBL22183067 | 0.58 | CA12 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023124896-A1 | SILANE COMPOUND, CATALYST COMPOSITION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国石油天然气股份有限公司 | 2023-07-06 | — | — | WO | claimed |
| WO-2023124895-A1 | OLEFIN POLYMERIZATION CATALYST, CATALYST COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国石油天然气股份有限公司 | 2023-07-06 | — | — | WO | claimed |
| WO-2023124895-A1 | OLEFIN POLYMERIZATION CATALYST, CATALYST COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国石油天然气股份有限公司 | 2023-07-06 | — | — | WO | disclosed |