⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1804084 | 0.77 | — | — | |
| SCHEMBL11052840 | 0.77 | — | — | |
| SCHEMBL15466015 | 0.72 | HIF1A (0.35) | — | |
| SCHEMBL3603099 | 0.72 | GSTP1 (0.38) | — | |
| SCHEMBL8781833 | 0.72 | HIF1A (0.39) | — | |
| SCHEMBL8783923 | 0.72 | HIF1A (0.42) | — | |
| SCHEMBL16714050 | 0.71 | GSTP1 (0.41) | — | |
| SCHEMBL11104225 | 0.69 | PTPRC (0.38) | — | |
| SCHEMBL11336110 | 0.69 | GSTP1 (0.36) | — | |
| SCHEMBL23500492 | 0.69 | — | — |
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-5318989-A | Antitumor and -carcinogenic agents; antibiotics; aglycones of esperamycins and calichemicins and having the same mechanism of bioactivity | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-07 | — | — | US | disclosed |
| CN-1071912-A | Dicyclo [7,3,1] 13 carbon-4-alkene-2,6-dialkyne and method for making thereof | BRISTOL MYERS SQUIBB CO (US) | 1993-05-12 | — | — | CN | disclosed |
| US-5198560-A | Antitumor agents based on esperamicin antibiotics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-30 | — | — | US | disclosed |
| EP-0454146-A1 | Cytotoxic bicyclo[7.3.1] tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1991-10-30 | — | — | EP | disclosed |