⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3297880 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL9800181 | 0.73 | — | — | |
| SCHEMBL5598058 | 0.72 | — | — | |
| SCHEMBL22443377 | 0.72 | — | — | |
| SCHEMBL9419510 | 0.71 | — | — | |
| SCHEMBL28639832 | 0.71 | TSHR (0.47) | — | |
| SCHEMBL9497771 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL9452595 | 0.69 | TSHR (0.44) | — | |
| Nitroethane SCHEMBL49993 | 0.69 | TSHR (0.73) | — | |
| SCHEMBL9070330 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0341496-B1 | Modified diene polymer rubbers | SUMITOMO CHEMICAL CO (JP) | 1993-10-20 | — | — | EP | disclosed |
| US-5128416-A | Automobile tire treads | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-07 | — | — | US | disclosed |
| US-5015692-A | Rubbers for tires having impact strength | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-05-14 | — | — | US | disclosed |
| US-4957976-A | IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1990-09-18 | — | — | US | disclosed |
| EP-0341496-A2 | Modified diene polymer rubbers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-11-15 | — | — | EP | disclosed |
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |
| EP-0270071-A2 | Process for preparing modified diene polymer rubbers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-06-08 | — | — | EP | disclosed |