⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8059952 | 0.80 | FUCA1 (0.31) | — | |
| SCHEMBL17265343 | 0.77 | — | — | |
| SCHEMBL17265347 | 0.72 | FUCA1 (0.47) | — | |
| SCHEMBL10380026 | 0.72 | FUCA1 (0.47) | — | |
| SCHEMBL17265251 | 0.72 | FUCA1 (0.32) | — | |
| SCHEMBL10375603 | 0.69 | FUCA1 (0.47) | — | |
| SCHEMBL16251959 | 0.67 | — | — | |
| SCHEMBL630059 | 0.67 | THRB (0.33) | — | |
| SCHEMBL24770139 | 0.65 | — | — | |
| SCHEMBL8068702 | 0.65 | DUT (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1990000173-A1 | 4'-DEOXY-2'-HALO-ANTHRACYCLINE ANTIBIOTICS, METHODS FOR THEIR USE, AND INTERMEDIATES AND METHODS FOR SYNTHESIS THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1990-01-11 | — | — | WO | disclosed |