⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10912421 | 0.78 | CA2 (0.30) | — | |
| SCHEMBL11527851 | 0.75 | CA2 (0.32) | — | |
| Methylamine SCHEMBL27837052 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL11125838 | 0.73 | CA2 (0.30) | — | |
| SCHEMBL27418084 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL5460694 | 0.71 | — | — | |
| SCHEMBL11652657 | 0.71 | FDPS (0.34) | — | |
| Sulfuric Acid SCHEMBL28409394 | 0.71 | CA5A (0.38) | — | |
| Sulfuric Acid SCHEMBL11125841 | 0.71 | CA5A (0.38) | — | |
| SCHEMBL4411396 | 0.70 | CA2 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5575821-A | Process for the preparation of a modified fiber material and process for the dyeing of the modified material with anionic textile dyes | HOECHST AG (DE) | 1996-11-19 | — | — | US | disclosed |
| US-5507840-A | FIBERS MODIFIED WITH COMPOUND CONTAINING HYDROXY, AMINE AND AT LEAST ONE HYDROLYZABLE ESTER GROUPS | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-16 | — | — | US | disclosed |