⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1100258 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL29351986 | 0.62 | — | — | |
| SCHEMBL4465325 | 0.62 | TSHR (0.71) | — | |
| SCHEMBL33555 | 0.62 | — | — | |
| SCHEMBL34906 | 0.62 | — | — | |
| SCHEMBL519377 | 0.62 | MAOB (0.39) | — | |
| Bromide SCHEMBL917076 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL330529 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL21176564 | 0.60 | TSHR (0.67) | — | |
| Water SCHEMBL1168306 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | claimed |
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0356765-A2 | Carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-03-07 | — | — | EP | disclosed |