⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7837387 | 0.94 | — | — | |
| SCHEMBL7826179 | 0.92 | — | — | |
| SCHEMBL7839717 | 0.91 | — | — | |
| SCHEMBL7834445 | 0.91 | — | — | |
| SCHEMBL7835480 | 0.86 | — | — | |
| SCHEMBL7828220 | 0.85 | — | — | |
| SCHEMBL9037544 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL7837677 | 0.84 | HDAC3 (0.31) | — | |
| SCHEMBL7836984 | 0.83 | — | — | |
| SCHEMBL7834118 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1064280-A1 | ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999050265-A1 | ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-07 | — | — | WO | disclosed |