⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38447 | 0.85 | — | — | |
| SCHEMBL28057591 | 0.79 | — | — | |
| SCHEMBL24736823 | 0.78 | — | — | |
| SCHEMBL83545 | 0.78 | — | — | |
| SCHEMBL4228717 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL10639593 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL29065768 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL2634021 | 0.77 | — | — | |
| SCHEMBL14401318 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL7763610 | 0.76 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100322880-A1 | UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES | MERCK PATENT GMBH | 2010-12-23 | — | — | US | disclosed |
| US-20100322881-A1 | UVB FILTER BASED ON ASCORBIC ACID DERIVATIVES | MERCK PATENT GESELLSCHAFT (DE) | 2010-12-23 | — | — | US | disclosed |
| CN-1102924-C | Process for the preparation of alkylated aromatic carboxylic acids and acyl halides | CIBA SC HOLDING AG (CH) | 2003-03-12 | — | — | CN | disclosed |
| CN-1129211-A | Process for the preparation of alkylated aromatic carboxylic acids and acyl halides | CIBA GEIGY AG (CH) | 1996-08-21 | — | — | CN | disclosed |