⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843128 | 0.86 | — | — | |
| SCHEMBL1454627 | 0.79 | — | — | |
| SCHEMBL5941933 | 0.79 | — | — | |
| SCHEMBL412402 | 0.78 | — | — | |
| SCHEMBL11251404 | 0.77 | TRPA1 (0.44) | — | |
| SCHEMBL7735360 | 0.77 | HIF1A (0.39) | — | |
| SCHEMBL1712459 | 0.76 | ADH1B (0.44) | — | |
| SCHEMBL2884535 | 0.76 | ADH1B (0.44) | — | |
| SCHEMBL1745100 | 0.75 | — | — | |
| SCHEMBL13922054 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0427007-A1 | Azulene squaric acid dyes containing amid groups, their intermediary products and optical recording medium | BASF Aktiengesellschaft (DE) | 1991-05-15 | — | — | EP | disclosed |
| EP-0414913-A1 | p-AMINOPHENOL DERIVATIVE AND PRODUCTION AND APPLICATION THEREOF | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1991-03-06 | — | — | EP | disclosed |
| EP-0014402-B1 | NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Takeda Chemical Industries, Ltd. (JP) | 1983-07-20 | — | — | EP | disclosed |
| EP-0004466-B1 | DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM | Takeda Chemical Industries, Ltd. (JP) | 1982-01-27 | — | — | EP | disclosed |