⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2927667 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11721326 | 0.97 | ALDH1A1 (0.61) | — | |
| SCHEMBL31181198 | 0.79 | ALDH1A1 (0.47) | — | |
| Penicillamine SCHEMBL603349 | 0.78 | ALDH1A1 (1.00) | — | |
| SCHEMBL18696937 | 0.78 | — | — | |
| Dl-Penicillamine SCHEMBL57527 | 0.78 | — | — | |
| SCHEMBL13270178 | 0.78 | — | — | |
| Dl-Penicillamine SCHEMBL4344 | 0.78 | — | — | |
| Dl-Penicillamine SCHEMBL22322162 | 0.78 | ALDH1A1 (1.00) | — | |
| Dl-Penicillamine SCHEMBL159653 | 0.78 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007074942-A | METHOD FOR PRODUCING OPTICALLY ACTIVE PENICILLAMINE | MITSUBISHI GAS CHEM CO INC | 2007-03-29 | — | — | JP | disclosed |