⚠ 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 | |
|---|---|---|---|---|
| Pimagedine SCHEMBL27366958 | 0.95 | ALDH1A1 (0.43) | — | |
| Pimagedine SCHEMBL7763659 | 0.95 | ALDH1A1 (0.43) | — | |
| Pimagedine SCHEMBL15307 | 0.95 | — | — | |
| Pimagedine SCHEMBL1724778 | 0.91 | ALDH1A1 (0.40) | — | |
| Pimagedine SCHEMBL19122 | 0.91 | — | — | |
| Pimagedine SCHEMBL23779762 | 0.91 | — | — | |
| Pimagedine SCHEMBL4879214 | 0.91 | — | — | |
| Pimagedine SCHEMBL10340639 | 0.91 | ALDH1A1 (0.40) | — | |
| Pimagedine SCHEMBL3818920 | 0.91 | — | — | |
| Pimagedine SCHEMBL8446446 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5118709-A | Decarboxylase enzyme inhibitors; antitumor agents | CIBA-GEIGY CORPORATION (US) | 1992-06-02 | — | — | US | disclosed |