⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8078648 | 0.72 | — | — | |
| SCHEMBL7365924 | 0.69 | — | — | |
| SCHEMBL8804302 | 0.67 | — | — | |
| SCHEMBL3067726 | 0.67 | — | — | |
| SCHEMBL7414113 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL9121035 | 0.65 | — | — | |
| SCHEMBL12297119 | 0.65 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8911480 | 0.65 | — | — | |
| SCHEMBL24440726 | 0.63 | — | — | |
| SCHEMBL16870260 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0490060-B1 | Salicylic acid derivatives | BASF AG (DE) | 1995-12-27 | — | — | EP | disclosed |
| US-5360913-A | Herbicides and bioregulators for growth | BASF AKTIENGESELLSCHAFT (DE) | 1994-11-01 | — | — | US | disclosed |
| US-5201937-A | SALICYCLIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-13 | — | — | US | disclosed |
| EP-0490060-A1 | Salicylic acid derivatives | BASF Aktiengesellschaft (DE) | 1992-06-17 | — | — | EP | disclosed |