⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1704294 | 0.71 | — | — | |
| SCHEMBL17594757 | 0.71 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL5158353 | 0.70 | — | — | |
| SCHEMBL4478986 | 0.70 | — | — | |
| SCHEMBL17594721 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL12056984 | 0.66 | — | — | |
| SCHEMBL13783356 | 0.66 | — | — | |
| SCHEMBL179451 | 0.66 | — | — | |
| SCHEMBL3989601 | 0.66 | — | — | |
| SCHEMBL4467066 | 0.65 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0039787-B1 | PREPARATION PROCESS OF CYCLOPENTADIENE COPOLYMERS | BASF Aktiengesellschaft (DE) | 1983-07-06 | — | — | EP | claimed |