⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15866470 | 0.87 | — | — | |
| SCHEMBL15033958 | 0.67 | — | — | |
| SCHEMBL27408775 | 0.67 | — | — | |
| SCHEMBL28183761 | 0.67 | — | — | |
| SCHEMBL6652099 | 0.64 | — | — | |
| SCHEMBL25309793 | 0.61 | — | — | |
| SCHEMBL867332 | 0.61 | — | — | |
| SCHEMBL9623859 | 0.61 | — | — | |
| SCHEMBL20549279 | 0.61 | — | — | |
| SCHEMBL20526664 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720564-A | Deuterated boron-containing spiro organic compound and preparation method thereof | 棓诺(苏州)新材料有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-117720564-A | Deuterated boron-containing spiro organic compound and preparation method thereof | 棓诺(苏州)新材料有限公司 | 2024-03-19 | — | — | CN | disclosed |
| US-4089754-A | SULFONATE AND SULFONE-CONTAINING BRIGHTENER | OXY METAL INDUSTRIES CORPORATION (US) | 1978-05-16 | — | — | US | disclosed |