⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10570548 | 0.86 | — | — | |
| SCHEMBL27953424 | 0.70 | — | — | |
| SCHEMBL10572581 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL25996397 | 0.67 | — | — | |
| SCHEMBL243965 | 0.67 | — | — | |
| SCHEMBL2480054 | 0.67 | — | — | |
| SCHEMBL2540229 | 0.67 | — | — | |
| SCHEMBL8717262 | 0.67 | — | — | |
| SCHEMBL10309514 | 0.67 | — | — | |
| SCHEMBL6048604 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4849529-A | Method for production of spiro-orthocarbonate | TOAGOSEI CHEMICAL INDUSTRY, LTD. (JP) | 1989-07-18 | — | — | US | claimed |
| JP-61289091-A | — | — | None | — | — | JP | disclosed |
| US-4870193-A | ESTER INTERCHANGE WITH GLYCOL | TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) | 1989-09-26 | — | — | US | disclosed |
| US-4849529-A | Method for production of spiro-orthocarbonate | TOAGOSEI CHEMICAL INDUSTRY, LTD. (JP) | 1989-07-18 | — | — | US | disclosed |
| JP-S61289091-A | SPIRO-ORTHOCARBONATE COMPOUND | TOAGOSEI CHEM IND CO LTD | 1986-12-19 | — | — | JP | disclosed |