⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21354255 | 0.74 | — | — | |
| SCHEMBL22472093 | 0.71 | — | — | |
| SCHEMBL332758 | 0.70 | — | — | |
| SCHEMBL1816503 | 0.69 | — | — | |
| SCHEMBL19580094 | 0.69 | — | — | |
| SCHEMBL330728 | 0.63 | — | — | |
| SCHEMBL1814545 | 0.63 | — | — | |
| SCHEMBL3751487 | 0.61 | — | — | |
| SCHEMBL23152025 | 0.60 | — | — | |
| SCHEMBL331425 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030149230-A1 | Polythiol compound | MITSUI CHEMICALS, INC. (JP) | 2003-08-07 | — | — | US | claimed |
| US-6770734-B2 | POLYMERIZABLE TO MAKE POLYTHIOURETHANES; LENSES WITH A HIGH REFRACTIVE INDEX | MITSUI CHEMICALS, INC. (JP) | 2004-08-03 | — | — | US | disclosed |
| US-20030149230-A1 | Polythiol compound | MITSUI CHEMICALS, INC. (JP) | 2003-08-07 | — | — | US | disclosed |