⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL48159 | 1.00 | — | — | |
| Propene SCHEMBL8776653 | 1.00 | TSHR (0.31) | — | |
| Propene SCHEMBL506566 | 1.00 | — | — | |
| Propene SCHEMBL62205 | 1.00 | — | — | |
| Propene SCHEMBL18291044 | 1.00 | TSHR (0.31) | — | |
| Propene SCHEMBL131567 | 1.00 | — | — | |
| Propene SCHEMBL10952176 | 1.00 | TSHR (0.31) | — | |
| Propene SCHEMBL19837946 | 1.00 | — | — | |
| Propene SCHEMBL4360411 | 0.94 | — | — | |
| Propene SCHEMBL21631328 | 0.94 | — | — |
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-6206992-A | — | — | None | — | — | JP | disclosed |
| CN-117625113-A | High-strength bi-component polyurethane pouring sealant and preparation method thereof | 广州集泰化工股份有限公司 | 2024-03-01 | — | — | CN | disclosed |
| JP-H06206992-A | SURFACTANT BASED ON ALKOXYLATED FATTY AMINE | HOECHST AG | 1994-07-26 | — | — | JP | disclosed |
| EP-0184603-A1 | Process for preparing a fluff pulp | KORSNÄS-MARMA AB (SE) | 1986-06-18 | — | — | EP | disclosed |