⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18734285 | 0.81 | — | — | |
| SCHEMBL18066 | 0.78 | — | — | |
| SCHEMBL608314 | 0.78 | — | — | |
| SCHEMBL27705444 | 0.76 | — | — | |
| SCHEMBL12229581 | 0.75 | HDAC1 (0.37) | — | |
| SCHEMBL27887198 | 0.75 | — | — | |
| SCHEMBL13028830 | 0.73 | — | — | |
| SCHEMBL14003697 | 0.72 | HDAC1 (0.35) | — | |
| SCHEMBL16339172 | 0.70 | HDAC1 (0.38) | — | |
| SCHEMBL16339174 | 0.70 | HDAC1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | 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 |
| US-4361650-A | BACILLUS, STREPTOMYCES OR ACTINOMYCES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-11-30 | — | — | US | disclosed |
| US-4307016-A | FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-12-22 | — | — | US | disclosed |
| US-4294757-A | BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1981-10-13 | — | — | US | disclosed |
| EP-0014402-A1 | Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1980-08-20 | — | — | EP | disclosed |
| EP-0004466-A1 | Demethyl maytansinoids and methods for producing them | Takeda Chemical Industries, Ltd. (JP) | 1979-10-03 | — | — | EP | disclosed |