⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10398918 | 0.75 | — | — | |
| SCHEMBL3388002 | 0.73 | SIGMAR1 (0.31) | — | |
| SCHEMBL1306135 | 0.73 | GNAI3 (0.31) | — | |
| SCHEMBL1682204 | 0.71 | — | — | |
| SCHEMBL8370582 | 0.69 | SIGMAR1 (0.33) | — | |
| SCHEMBL28775751 | 0.69 | — | — | |
| SCHEMBL11813848 | 0.69 | CHRM5 (0.33) | — | |
| SCHEMBL1264415 | 0.68 | — | — | |
| SCHEMBL14736906 | 0.68 | — | — | |
| SCHEMBL28768405 | 0.67 | GNAI3 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8134166-A | — | — | None | — | — | JP | disclosed |
| JP-H08134166-A | RIGID POLYURETHANE FOAM | MITSUI TOATSU CHEM INC | 1996-05-28 | — | — | JP | disclosed |
| US-5166115-A | Polyurethanes | ALBERMARLE CORPORATION | 1992-11-24 | — | — | US | disclosed |
| US-5143942-A | Polyureurethanes from Alkylthio-Substituted Toluenediamines | ETHYL CORPORATION (US) | 1992-09-01 | — | — | US | disclosed |