⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6009919 | 0.78 | — | — | |
| SCHEMBL28895640 | 0.71 | — | — | |
| SCHEMBL28431805 | 0.71 | — | — | |
| SCHEMBL2958342 | 0.70 | — | — | |
| SCHEMBL30485907 | 0.70 | — | — | |
| SCHEMBL8780273 | 0.69 | — | — | |
| SCHEMBL6981068 | 0.69 | PTGS2 (0.35) | — | |
| SCHEMBL28436155 | 0.68 | — | — | |
| SCHEMBL11792343 | 0.67 | — | — | |
| SCHEMBL13862441 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023204947-A1 | PROCESSES FOR OXIDIZING P-XYLENE OR P-XYLENE-CONTAINING MIXTURES | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2023-10-26 | — | — | WO | disclosed |
| CN-112703184-A | Process for producing amide compound, and amide compound | 广荣化学株式会社 | 2021-04-23 | — | — | CN | disclosed |
| CN-111094375-A | Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same | 广荣化学工业株式会社 | 2020-05-01 | — | — | CN | disclosed |
| CN-104803835-B | Method for preparing benzaldehyde and its derivatives | 中国科学院化学研究所 | 2017-02-15 | — | — | CN | disclosed |
| CN-104803835-A | Method for preparing benzaldehyde and its derivatives | CHINESE ACAD INST CHEMISTRY | 2015-07-29 | — | — | CN | disclosed |