⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1617987 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL316015 | 0.67 | — | — | |
| SCHEMBL8330364 | 0.67 | — | — | |
| SCHEMBL7917962 | 0.65 | — | — | |
| SCHEMBL3913994 | 0.65 | — | — | |
| SCHEMBL83729 | 0.64 | — | — | |
| SCHEMBL7904089 | 0.63 | — | — | |
| SCHEMBL7914398 | 0.61 | TSHR (0.30) | — | |
| SCHEMBL1617873 | 0.60 | — | — | |
| SCHEMBL6297648 | 0.60 | ALDH1A1 (0.38) | — |
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-5925784-A | USED FOR EXTRACTING METALS FROM AQUEOUS SOLUTIONS | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 1999-07-20 | — | — | US | disclosed |
| US-5872279-A | OXIDIZING OR SULFIDING DI(1,1,3,3-TETRAMETHYLBUTYL)PHOSHINE; REACTING PHOSPHINE AND TRIMETHYLPENTENE USING ALKYLSULFONIC ACID CATALYST | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 1999-02-16 | — | — | US | disclosed |