⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4655345 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL9255153 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL11484637 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL17559978 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL28796432 | 0.73 | — | — | |
| SCHEMBL7749 | 0.71 | — | — | |
| SCHEMBL9202876 | 0.71 | OPRM1 (0.37) | — | |
| SCHEMBL27863661 | 0.71 | RIPK1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL29259288 | 0.68 | — | — | |
| SCHEMBL28248027 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4301083-A | BY REACTION WITH AN ORGANIC CHLORIDE OR BROMIDE IN THE PRESENCE OF SODIUM OR POTASSIUM HYDROXIDE | KURARAY CO., LTD. (JP) | 1981-11-17 | — | — | US | claimed |
| US-4301083-A | BY REACTION WITH AN ORGANIC CHLORIDE OR BROMIDE IN THE PRESENCE OF SODIUM OR POTASSIUM HYDROXIDE | KURARAY CO., LTD. (JP) | 1981-11-17 | — | — | US | disclosed |