⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36807 | 0.84 | — | — | |
| Alcohol SCHEMBL11615647 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL5796156 | 0.75 | — | — | |
| SCHEMBL7718061 | 0.75 | — | — | |
| SCHEMBL11799057 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL36808 | 0.74 | — | — | |
| SCHEMBL4544255 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL544218 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL6532710 | 0.72 | — | — | |
| SCHEMBL10338523 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5747625-A | Silicate group-containing polyimide | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 1998-05-05 | — | — | US | disclosed |