⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9957769 | 0.73 | — | — | |
| SCHEMBL3064144 | 0.67 | — | — | |
| SCHEMBL7940130 | 0.65 | — | — | |
| SCHEMBL17213374 | 0.65 | — | — | |
| SCHEMBL3071810 | 0.62 | — | — | |
| SCHEMBL1817888 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL12878632 | 0.61 | — | — | |
| SCHEMBL20008630 | 0.61 | — | — | |
| SCHEMBL5612672 | 0.60 | — | — | |
| SCHEMBL712527 | 0.60 | HTT (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827586-B2 | Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2023-11-28 | — | — | US | disclosed |
| US-11827586-B2 | Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2023-11-28 | — | — | US | disclosed |
| US-20210253517-A1 | METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2021-08-19 | — | — | US | disclosed |