⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2124601 | 0.87 | CES1 (0.55) | — | |
| SCHEMBL16885823 | 0.82 | CES1 (0.50) | — | |
| SCHEMBL5268365 | 0.80 | — | — | |
| SCHEMBL2122156 | 0.79 | CES2 (0.57) | — | |
| SCHEMBL17148178 | 0.78 | CES1 (0.46) | — | |
| SCHEMBL10810427 | 0.77 | CES2 (0.59) | — | |
| SCHEMBL12003514 | 0.76 | HMGCR (0.47) | — | |
| SCHEMBL2124304 | 0.76 | CES1 (0.44) | — | |
| SCHEMBL18867193 | 0.75 | CES1 (0.42) | — | |
| SCHEMBL11347415 | 0.75 | CES1 (0.42) | — |
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-113061111-A | Method for preparing amino acid compound with photocrosslinking activity | 无锡海伦生物科技有限公司 | 2021-07-02 | — | — | CN | claimed |
| CN-113999104-A | Synthesis method of commercial 7-alkyne-4-oxo-octanoic acid | 西安康福诺生物科技有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-113061111-A | Method for preparing amino acid compound with photocrosslinking activity | 无锡海伦生物科技有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-113061111-A | Method for preparing amino acid compound with photocrosslinking activity | 无锡海伦生物科技有限公司 | 2021-07-02 | — | — | CN | disclosed |