⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18720246 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL8088292 | 0.69 | — | — | |
| SCHEMBL14446948 | 0.66 | — | — | |
| SCHEMBL15615229 | 0.63 | — | — | |
| SCHEMBL2107618 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL12132430 | 0.61 | — | — | |
| SCHEMBL6467970 | 0.60 | POLB (0.38) | — | |
| SCHEMBL15659426 | 0.58 | — | — | |
| SCHEMBL14791102 | 0.57 | CTSD (0.37) | — | |
| SCHEMBL2689498 | 0.57 | — | — |
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-5093500-A | Spirodilactam bisimides | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-4939270-A | Spirodilactam diamines | SHELL OIL COMPANY (US) | 1990-07-03 | — | — | US | disclosed |