⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27871594 | 1.00 | ENPP2 (0.48) | — | |
| Benzene SCHEMBL28804146 | 1.00 | ENPP2 (0.48) | — | |
| SCHEMBL1331365 | 1.00 | — | — | |
| Water SCHEMBL27932616 | 1.00 | ENPP2 (0.48) | — | |
| SCHEMBL37831 | 1.00 | — | — | |
| SCHEMBL1332411 | 1.00 | — | — | |
| Benzene SCHEMBL7517467 | 1.00 | ENPP2 (0.48) | — | |
| SCHEMBL1921814 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28747248 | 0.97 | ENPP2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL4699655 | 0.97 | ENPP2 (0.47) | — |
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-119306622-A | Preparation method of C isotope labeled phenylalanine or phenylglycine derivative | 江苏金伯奇同位素科技有限公司 | 2025-01-14 | — | — | CN | disclosed |