⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9011713 | 0.97 | — | — | |
| SCHEMBL9011785 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL9011871 | 0.78 | — | — | |
| SCHEMBL15972107 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL7539944 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL16187773 | 0.69 | — | — | |
| SCHEMBL10514508 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL7126052 | 0.67 | — | — | |
| SCHEMBL9239084 | 0.67 | — | — | |
| SCHEMBL2940586 | 0.65 | — | — |
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-5536880-A | Monoalkylphosphine and method of producing the same | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 1996-07-16 | — | — | US | disclosed |