⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8910440 | 0.75 | — | — | |
| SCHEMBL8911974 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL8910299 | 0.66 | CYP17A1 (0.33) | — | |
| SCHEMBL8910677 | 0.66 | CYP17A1 (0.33) | — | |
| SCHEMBL8911274 | 0.63 | CA12 (0.37) | — | |
| SCHEMBL7098420 | 0.62 | HTR2C (0.45) | — | |
| SCHEMBL8910451 | 0.60 | P2RX7 (0.31) | — | |
| SCHEMBL8912778 | 0.60 | TP53 (0.30) | — | |
| SCHEMBL6625411 | 0.59 | CLK4 (0.37) | — | |
| SCHEMBL30790437 | 0.59 | CLK4 (0.40) | — |
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-5608065-A | ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS | OPTISCHE WERKE G. RODENSTOCK (DE) | 1997-03-04 | — | — | US | claimed |