⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8116733 | 1.00 | — | — | |
| SCHEMBL19105209 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL7061460 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL23746049 | 0.77 | CES2 (0.30) | — | |
| SCHEMBL2440146 | 0.77 | — | — | |
| SCHEMBL19105339 | 0.76 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL19105230 | 0.76 | — | — | |
| SCHEMBL29425185 | 0.76 | — | — | |
| SCHEMBL10595745 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL1598833 | 0.75 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5026723-A | Water treatment, papermaking | KATAYAMA CHEMICAL, INC. (JP) | 1991-06-25 | — | — | US | disclosed |
| US-4963586-A | 2,2-DIBROMO-3-NITRILOPROPIONAMIDE AND NITROBROMOPROPANE DERIVATIVE; SYNERGISTIC | KATAYAMA CHEMICAL, INC. (JP) | 1990-10-16 | — | — | US | disclosed |