⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3314240 | 0.97 | — | — | |
| SCHEMBL21067031 | 0.93 | — | — | |
| SCHEMBL10246489 | 0.78 | — | — | |
| SCHEMBL17865686 | 0.76 | — | — | |
| SCHEMBL24171280 | 0.75 | — | — | |
| SCHEMBL11421630 | 0.75 | HSD17B10 (0.41) | — | |
| SCHEMBL17865659 | 0.75 | HSD17B10 (0.41) | — | |
| SCHEMBL83558 | 0.73 | — | — | |
| SCHEMBL21367089 | 0.73 | TDP1 (0.45) | — | |
| SCHEMBL27383510 | 0.72 | HSD17B10 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105037120-B | A kind of novel method for synthesizing of methylheptanone | 吉林北沙制药有限公司 | 2016-09-21 | — | — | CN | disclosed |