⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL767030 | 0.78 | — | — | |
| SCHEMBL28272450 | 0.78 | — | — | |
| Water SCHEMBL28322585 | 0.76 | TDP1 (0.35) | — | |
| SCHEMBL9979302 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL3968801 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL10716607 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10726791 | 0.69 | TRPA1 (0.39) | — | |
| SCHEMBL524448 | 0.69 | — | — | |
| SCHEMBL460015 | 0.69 | — | — | |
| SCHEMBL4116007 | 0.68 | — | — |
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-4123443-A | Process for the preparation of bromoacetic acid and esters thereof | KATAYAMA CHEMICAL WORKS CO., LTD. (JP) | 1978-10-31 | — | — | US | disclosed |