⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9384995 | 0.81 | CYP1A2 (0.30) | — | |
| SCHEMBL10758175 | 0.81 | — | — | |
| SCHEMBL10758658 | 0.81 | — | — | |
| SCHEMBL11180312 | 0.78 | KIF11 (0.30) | — | |
| SCHEMBL10760772 | 0.77 | — | — | |
| SCHEMBL10754680 | 0.77 | — | — | |
| SCHEMBL11033113 | 0.76 | — | — | |
| SCHEMBL10973636 | 0.76 | KIF11 (0.33) | — | |
| SCHEMBL11033057 | 0.76 | — | — | |
| SCHEMBL11032875 | 0.76 | FAAH (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0210065-A1 | 6-Alkylidene penems | BEECHAM GROUP PLC (GB) | 1987-01-28 | — | — | EP | disclosed |