⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4558625 | 0.76 | — | — | |
| SCHEMBL22834244 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL11213921 | 0.67 | — | — | |
| SCHEMBL23152425 | 0.65 | — | — | |
| SCHEMBL27752447 | 0.65 | — | — | |
| SCHEMBL5214195 | 0.65 | — | — | |
| SCHEMBL27477995 | 0.63 | — | — | |
| Boric Acid SCHEMBL29079690 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL21833558 | 0.63 | — | — | |
| SCHEMBL25334763 | 0.63 | TSHR (0.32) | — |
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-5698735-A | Process for preparing substituted phenylacetic acid derivatives and novel intermediates | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-16 | — | — | US | disclosed |