⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5488340 | 0.91 | — | — | |
| SCHEMBL7217395 | 0.84 | ALDH1A1 (0.39) | — | |
| SCHEMBL541455 | 0.81 | TRPV1 (0.36) | — | |
| SCHEMBL7538370 | 0.79 | CA12 (0.52) | — | |
| SCHEMBL4217062 | 0.78 | RNPEP (0.38) | — | |
| SCHEMBL7119339 | 0.78 | — | — | |
| SCHEMBL19367665 | 0.78 | — | — | |
| SCHEMBL3797243 | 0.77 | — | — | |
| SCHEMBL22009170 | 0.77 | — | — | |
| SCHEMBL9836643 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114100566-B | Amino-functional MCM molecular sieve and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-10-10 | — | — | CN | claimed |
| CN-114100566-A | Amino-functionalized MCM molecular sieve and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-03-01 | — | — | CN | claimed |
| WO-2024240748-A1 | IMPROVED METHOD FOR THE FORMATION OF AMIDES | BASF SE (DE) | 2024-11-28 | — | — | WO | disclosed |
| CN-114100566-B | Amino-functional MCM molecular sieve and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-114100566-A | Amino-functionalized MCM molecular sieve and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-03-01 | — | — | CN | disclosed |