⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8684759 | 0.80 | — | — | |
| SCHEMBL3740249 | 0.78 | L3MBTL1 (0.40) | — | |
| SCHEMBL5499066 | 0.77 | — | — | |
| SCHEMBL1418639 | 0.74 | L3MBTL1 (0.39) | — | |
| SCHEMBL6542191 | 0.74 | — | — | |
| SCHEMBL7401426 | 0.74 | — | — | |
| SCHEMBL5113729 | 0.74 | GPR84 (0.30) | — | |
| SCHEMBL11036915 | 0.72 | POLB (0.41) | — | |
| SCHEMBL11516551 | 0.71 | EPHX2 (0.30) | — | |
| SCHEMBL11239022 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5264586-A | Antibiotics, antitumor, chemical intermediates | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-11-23 | — | — | US | disclosed |
| WO-1993001810-A1 | ANALOGS OF CALICHEAMICIN η1I, METHOD OF MAKING AND USING THE SAME | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-02-04 | — | — | WO | disclosed |