⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1074040 | 0.69 | — | — | |
| SCHEMBL12420565 | 0.66 | GRM2 (0.35) | — | |
| SCHEMBL1923010 | 0.66 | GRM2 (0.35) | — | |
| SCHEMBL18028703 | 0.65 | LMNA (0.34) | — | |
| SCHEMBL548532 | 0.65 | LMNA (0.34) | — | |
| SCHEMBL19798634 | 0.64 | — | — | |
| SCHEMBL16930820 | 0.62 | SLC22A2 (0.30) | — | |
| SCHEMBL8582506 | 0.59 | — | — | |
| SCHEMBL17311541 | 0.55 | — | — | |
| SCHEMBL12161088 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4990691-A | Hydrolyzing tribromoadamantane in presence of pyridine to form triol | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1991-02-05 | — | — | US | claimed |