⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9601734 | 0.88 | MAPT (0.40) | — | |
| SCHEMBL28209818 | 0.82 | — | — | |
| SCHEMBL2210122 | 0.78 | — | — | |
| SCHEMBL9602501 | 0.77 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28933986 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL6517039 | 0.76 | POLB (0.46) | — | |
| SCHEMBL23890604 | 0.75 | HDAC3 (0.46) | — | |
| SCHEMBL9601731 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL9216966 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL18912553 | 0.75 | HRH3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5041651-A | Produced by reacting optically active aminoalcohol or salt with borane or metal borohydride | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-08-20 | — | — | US | disclosed |
| US-4760149-A | Asymmetrically reducing a ketone with an asymmetrically modified borohydride compound obtained by reacting a borohydride with optically active amino alcohol | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-07-26 | — | — | US | disclosed |