⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10501210 | 0.58 | — | — | |
| SCHEMBL9615101 | 0.58 | — | — | |
| SCHEMBL5383540 | 0.58 | — | — | |
| Iodide SCHEMBL163133 | 0.41 | — | — | |
| SCHEMBL10534236 | 0.41 | — | — | |
| SCHEMBL4176614 | 0.41 | — | — | |
| Fluoride Ion SCHEMBL162610 | 0.41 | — | — | |
| SCHEMBL163188 | 0.41 | — | — | |
| Ethane SCHEMBL11324909 | 0.41 | — | — | |
| Ethane SCHEMBL11665218 | 0.41 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609244-B1 | METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS | BASF AG (DE) | 1998-12-23 | — | — | EP | disclosed |
| EP-0609254-B1 | METHOD OF PREPARING 2,5-DIHYDROXYPHENYLACETIC ACIDS | BASF AG (DE) | 1998-08-19 | — | — | EP | disclosed |
| EP-0609244-A1 | METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS | BASF Aktiengesellschaft (DE) | 1994-08-10 | — | — | EP | disclosed |
| EP-0609254-A1 | METHOD OF PREPARING 2,5-DIHYDROXYPHENYLACETIC ACIDS | BASF Aktiengesellschaft (DE) | 1994-08-10 | — | — | EP | disclosed |
| WO-1993008294-A1 | METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-29 | — | — | WO | disclosed |
| WO-1993008295-A1 | METHOD OF PREPARING 2,5-DIHYDROXYPHENYLACETIC ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-29 | — | — | WO | disclosed |