⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1220821 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL16628515 | 0.93 | — | — | |
| SCHEMBL3233524 | 0.87 | — | — | |
| SCHEMBL12908305 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL29002906 | 0.84 | TSHR (0.45) | — | |
| SCHEMBL21484063 | 0.84 | TSHR (0.45) | — | |
| SCHEMBL8170204 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL1361248 | 0.74 | — | — | |
| SCHEMBL3915910 | 0.73 | — | — | |
| SCHEMBL20390547 | 0.73 | MGAM (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0008130-B1 | ORGANOSILICON COUMPOUNDS FOR THE TREATMENT OF HYPERTENSION AND TUMORS | Shin-Etsu Chemical Co., Ltd. (JP) | 1982-12-15 | — | — | EP | disclosed |
| US-4336251-A | Medicaments containing an organosilicon compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1982-06-22 | — | — | US | disclosed |
| EP-0008130-A1 | Organosilicon coumpounds for the treatment of hypertension and tumors | Shin-Etsu Chemical Co., Ltd. (JP) | 1980-02-20 | — | — | EP | disclosed |