⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8890220 | 0.85 | SETD7 (0.30) | — | |
| SCHEMBL9019948 | 0.84 | HIF1A (0.30) | — | |
| SCHEMBL7890961 | 0.67 | SIGMAR1 (0.40) | — | |
| SCHEMBL9432251 | 0.65 | — | — | |
| SCHEMBL29117563 | 0.59 | MAPT (0.31) | — | |
| SCHEMBL10159622 | 0.59 | TSHR (0.34) | — | |
| SCHEMBL1821223 | 0.54 | — | — | |
| SCHEMBL1821221 | 0.54 | — | — | |
| SCHEMBL8214376 | 0.54 | RAB9A (0.46) | — | |
| SCHEMBL30845826 | 0.54 | RAB9A (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0422597-B1 | Derivatives of phenylacetic acid and fungicides containing them | BASF AG (DE) | 1996-07-24 | — | — | EP | disclosed |
| US-5286750-A | For crops or ornamental plants | BASF AKTIENGESELLSCHAFT (DE) | 1994-02-15 | — | — | US | disclosed |
| EP-0422597-A2 | Derivatives of phenylacetic acid and fungicides containing them | BASF Aktiengesellschaft (DE) | 1991-04-17 | — | — | EP | disclosed |