⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624947 | 1.00 | — | — | |
| SCHEMBL8162882 | 0.83 | — | — | |
| SCHEMBL10627773 | 0.76 | — | — | |
| SCHEMBL15524682 | 0.76 | — | — | |
| SCHEMBL10627781 | 0.76 | — | — | |
| SCHEMBL17304849 | 0.75 | — | — | |
| SCHEMBL12213202 | 0.75 | — | — | |
| SCHEMBL7212387 | 0.75 | — | — | |
| SCHEMBL8221879 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL28993814 | 0.75 | TSHR (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112424154-B | Process for producing ketone mixture | 捷恩智株式会社 | 2024-01-09 | — | — | CN | claimed |
| CN-112424154-B | Process for producing ketone mixture | 捷恩智株式会社 | 2024-01-09 | — | — | CN | disclosed |
| CN-112424154-A | Process for producing ketone | 捷恩智株式会社 | 2021-02-26 | — | — | CN | disclosed |
| WO-2020017135-A1 | METHOD FOR MANUFACTURING KETONES | JNC株式会社 | 2020-01-23 | — | — | WO | disclosed |