⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1695327 | 0.78 | — | — | |
| SCHEMBL6987359 | 0.77 | — | — | |
| SCHEMBL30806 | 0.75 | — | — | |
| SCHEMBL584488 | 0.75 | TDP1 (0.47) | — | |
| SCHEMBL1860919 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL21680812 | 0.72 | — | — | |
| SCHEMBL9075110 | 0.72 | — | — | |
| SCHEMBL8644277 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL1832048 | 0.72 | — | — | |
| SCHEMBL2951639 | 0.72 | — | — |
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-5192358-A | OXALIC ACID DERIVATIVES, THEIR PREPARATION AND PLANT GROWTH REGULATORS CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-09 | — | — | US | disclosed |