⚠ 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 | |
|---|---|---|---|---|
| Ethephon SCHEMBL37574 | 0.94 | — | — | |
| Ethephon SCHEMBL2787060 | 0.94 | TYMS (0.62) | — | |
| Ethephon SCHEMBL28427222 | 0.90 | — | — | |
| Ethephon SCHEMBL10623685 | 0.90 | — | — | |
| Ethephon SCHEMBL11882517 | 0.90 | — | — | |
| Ethephon SCHEMBL21385094 | 0.90 | — | — | |
| Ethephon SCHEMBL11766494 | 0.85 | TYMS (0.53) | — | |
| Ethephon SCHEMBL11861030 | 0.84 | TYMS (0.46) | — | |
| Ethephon SCHEMBL28762926 | 0.82 | TYMS (0.50) | — | |
| Ethephon SCHEMBL8839325 | 0.76 | TYMS (0.43) | — |
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-5123951-A | Ethylene response inducing agent and malonic acid derivative | RHONE-POULENC NEDERLAND B.V. (NL) | 1992-06-23 | — | — | US | claimed |