⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20840328 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28479568 | 0.67 | MEN1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL30052843 | 0.67 | MEN1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL3310001 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL27780412 | 0.67 | — | — | |
| SCHEMBL338007 | 0.66 | MEN1 (0.75) | — | |
| Hydrazine SCHEMBL12274115 | 0.64 | MEN1 (0.42) | — | |
| SCHEMBL10543148 | 0.64 | MEN1 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL3745234 | 0.61 | MEN1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL3624789 | 0.61 | MEN1 (0.67) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113441100-A | Device and method for enhancing chemical reaction through acoustic resonance | 西安近代化学研究所 | 2021-09-28 | — | — | CN | disclosed |
| US-7060818-B2 | Synthesis of macrocyclic tetraamido compounds and new metal insertion process | CARNEGIE MELLON UNIVERSITY (US) | 2006-06-13 | — | — | US | disclosed |
| WO-2004076425-A1 | IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS | CARNEGIE MELLON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |
| US-20040167329-A1 | Synthesis of macrocyclic tetraamido compounds and new metal insertion process | CARNEGIE MELLON UNIVERSITY | 2004-08-26 | — | — | US | disclosed |