⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27861797 | 0.77 | — | — | |
| SCHEMBL17311209 | 0.77 | — | — | |
| SCHEMBL2267016 | 0.77 | — | — | |
| SCHEMBL2268671 | 0.77 | — | — | |
| SCHEMBL19812849 | 0.77 | — | — | |
| SCHEMBL4157626 | 0.73 | MLYCD (0.31) | — | |
| SCHEMBL4327739 | 0.72 | — | — | |
| SCHEMBL1994220 | 0.72 | — | — | |
| SCHEMBL8683953 | 0.72 | — | — | |
| SCHEMBL2922034 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5217713-A | Anticancer agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-08 | — | — | US | disclosed |
| US-5141736-A | Complexed with ansamitocin | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-08-25 | — | — | US | disclosed |
| US-4371533-A | ANTITUMOR, ANTIPROTOZOA AND ANTIFUNGAL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-02-01 | — | — | US | disclosed |
| EP-0049528-A1 | 4,5-Deoxymaytansinoids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1982-04-14 | — | — | EP | disclosed |