⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5791644 | 1.00 | — | — | |
| SCHEMBL13799374 | 0.73 | KMT2A (0.32) | — | |
| SCHEMBL11213720 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11213717 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11213716 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11205631 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL11205628 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL12354302 | 0.70 | — | — | |
| SCHEMBL18320087 | 0.70 | — | — | |
| SCHEMBL20969067 | 0.70 | SMN1; SMN2 (0.31) | — |
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-20060036094-A1 | Method for producing zoanthamine alkaloid and intermediate used in same | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2006-02-16 | — | — | US | disclosed |
| US-5624950-A | USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS | RHONE-POULENC RORER S.A. (FR) | 1997-04-29 | — | — | US | disclosed |
| US-5134238-A | Chiral copper amine complexes | BRIGHAM YOUNG UNIVERSITY (US) | 1992-07-28 | — | — | US | disclosed |