⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31088843 | 1.00 | — | — | |
| SCHEMBL2821315 | 1.00 | — | — | |
| Malic Acid SCHEMBL28082942 | 0.81 | SMN1; SMN2 (0.65) | — | |
| Malic Acid SCHEMBL3771501 | 0.80 | SMN1; SMN2 (0.71) | — | |
| Malic Acid SCHEMBL18939741 | 0.78 | SMN1; SMN2 (0.68) | — | |
| SCHEMBL18219058 | 0.78 | — | — | |
| SCHEMBL163737 | 0.78 | — | — | |
| SCHEMBL17424556 | 0.78 | — | — | |
| SCHEMBL19383760 | 0.78 | — | — | |
| SCHEMBL8951609 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0353053-B1 | Catalytic process for producing optically active alpha-hydroxycarboxylates | TAKASAGO PERFUMERY CO LTD (JP) | 1993-10-20 | — | — | EP | disclosed |
| US-4965398-A | Process for producing optically active alpha-hydroxycarboxylates | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1990-10-23 | — | — | US | disclosed |
| EP-0353053-A2 | Catalytic process for producing optically active alpha-hydroxycarboxylates | Takasago International Corporation (JP) | 1990-01-31 | — | — | EP | disclosed |