⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11133025 | 0.94 | — | — | |
| SCHEMBL11123425 | 0.70 | — | — | |
| SCHEMBL11123423 | 0.70 | — | — | |
| SCHEMBL2888256 | 0.69 | — | — | |
| SCHEMBL2890207 | 0.69 | — | — | |
| SCHEMBL9202828 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL9202960 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL9205022 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL9311248 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL1378622 | 0.61 | TSHR (0.41) | — |
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-4405742-A | Process for the production of high molecular weight polychloroprene and its use as a starting material for adhesives | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-20 | — | — | US | disclosed |