⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27382918 | 0.98 | — | — | |
| SCHEMBL6936045 | 0.71 | — | — | |
| SCHEMBL7363919 | 0.68 | — | — | |
| SCHEMBL7227369 | 0.65 | — | — | |
| SCHEMBL28596912 | 0.64 | — | — | |
| SCHEMBL28818565 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL28397952 | 0.64 | GSK3A (0.34) | — | |
| SCHEMBL2227132 | 0.62 | — | — | |
| SCHEMBL31053024 | 0.60 | — | — | |
| SCHEMBL31588041 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1639113-B | Method for producing 2-chloromethylphenyl acetic acid derivatives | BASF AG | 2011-06-01 | — | — | CN | disclosed |
| US-20090177005-A1 | Method For Producing 2-(chloromethyl)penylacetic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2009-07-09 | — | — | US | disclosed |
| US-7488840-B2 | Method for producing 2-chloromethylphenyl acetic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2009-02-10 | — | — | US | disclosed |
| CN-1639113-A | Method for producing 2-chloromethylphenyl acetic acid derivatives | BASF AG (DE) | 2005-07-13 | — | — | CN | disclosed |
| US-20050113597-A1 | Method for producing 2-chloromethylphenyl acetic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2005-05-26 | — | — | US | disclosed |