⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1970547 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL3290645 | 0.95 | — | — | |
| SCHEMBL11698486 | 0.95 | — | — | |
| SCHEMBL9345005 | 0.95 | — | — | |
| SCHEMBL9116630 | 0.84 | TSHR (0.53) | — | |
| SCHEMBL11898443 | 0.83 | — | — | |
| Thiophene SCHEMBL28394160 | 0.82 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL20820002 | 0.81 | CES1 (0.44) | — | |
| SCHEMBL3630253 | 0.81 | DGKA (0.54) | — | |
| SCHEMBL23754644 | 0.79 | DGKA (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 |
|---|---|---|---|---|---|---|---|
| CN-103087317-A | Manufacturing method of high-molecular-weight polyphenylene sulfide sulfone | HUATONG SICHUAN RES CT SPECIAL ENG PLASTICS CO LTD | 2013-05-08 | — | — | CN | claimed |
| CN-103087317-A | Manufacturing method of high-molecular-weight polyphenylene sulfide sulfone | HUATONG SICHUAN RES CT SPECIAL ENG PLASTICS CO LTD | 2013-05-08 | — | — | CN | disclosed |