⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL101047 | 0.97 | — | — | |
| SCHEMBL2194297 | 0.94 | — | — | |
| SCHEMBL2195551 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL4478987 | 0.84 | CES2 (0.50) | — | |
| SCHEMBL1417339 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL16923747 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL13042281 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL19927879 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL137776 | 0.81 | — | — | |
| Water SCHEMBL10891347 | 0.78 | CES2 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0872903-B1 | Method for making hydrogen storage alloy powder and electrode comprising the alloy powder | SHINETSU CHEMICAL CO (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-6277519-B1 | QUENCHING AN ALLOY MELT; COMMINUTION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-08-21 | — | — | US | disclosed |
| EP-0872903-A1 | Method for making hydrogen storage alloy powder and electrode comprising the alloy powder | Shin-Etsu Chemical Co., Ltd. (JP) | 1998-10-21 | — | — | EP | disclosed |
| US-5112682-A | Primer, azine dye, organosilicon compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-05-12 | — | — | US | disclosed |