⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23329 | 0.70 | — | — | |
| SCHEMBL3063219 | 0.70 | — | — | |
| SCHEMBL20798905 | 0.70 | — | — | |
| SCHEMBL1060991 | 0.67 | — | — | |
| SCHEMBL1033414 | 0.67 | — | — | |
| SCHEMBL23421278 | 0.67 | — | — | |
| SCHEMBL23968 | 0.67 | — | — | |
| SCHEMBL1030203 | 0.67 | — | — | |
| SCHEMBL330158 | 0.65 | — | — | |
| SCHEMBL5250 | 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-5837797-A | CONDENSATION POLYMERIZING POLYTHIOL AND POLYISO(THIO)CYANATE MONOMERS TO MAKE POLYTHIOURETHANES AND POLYDITHIOCARBAMATES; REFRACTIVE INDEX, LIGHTWEIGHT, DYEABILITY, WEATHERPROOF, HEAT RESISTANCE, IMPACT STRENGTH | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-11-17 | — | — | US | disclosed |