⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28736185 | 0.81 | — | — | |
| SCHEMBL12339300 | 0.79 | SOS1 (0.33) | — | |
| SCHEMBL25071206 | 0.79 | SOS1 (0.40) | — | |
| SCHEMBL27656844 | 0.76 | SOS1 (0.31) | — | |
| SCHEMBL6380837 | 0.76 | SOS1 (0.31) | — | |
| SCHEMBL8406318 | 0.73 | — | — | |
| SCHEMBL13886937 | 0.71 | DPP4 (0.34) | — | |
| SCHEMBL29005237 | 0.71 | SOS1 (0.31) | — | |
| SCHEMBL27898979 | 0.70 | — | — | |
| SCHEMBL24519292 | 0.68 | HRH3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101835820-B | Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process | TOSOH CORP | 2012-11-21 | — | — | CN | disclosed |