⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11374390 | 0.79 | — | — | |
| SCHEMBL808933 | 0.77 | — | — | |
| SCHEMBL1550289 | 0.75 | — | — | |
| SCHEMBL1579953 | 0.75 | — | — | |
| SCHEMBL8645636 | 0.69 | — | — | |
| Methylene Chloride SCHEMBL5859552 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL7705508 | 0.67 | CYP1A2 (0.33) | — | |
| SCHEMBL50101 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL1404 | 0.66 | — | — | |
| SCHEMBL2154133 | 0.66 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5292937-A | Use of malonic acid derivative compounds for retarding plant growth | RHONE-POULENC INC. (US) | 1994-03-08 | — | — | US | disclosed |
| US-5123951-A | Ethylene response inducing agent and malonic acid derivative | RHONE-POULENC NEDERLAND B.V. (NL) | 1992-06-23 | — | — | US | disclosed |