⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28213658 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL22771681 | 0.72 | — | — | |
| SCHEMBL1007133 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL22771622 | 0.70 | — | — | |
| SCHEMBL8736787 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22771838 | 0.67 | FDPS (0.32) | — | |
| SCHEMBL25125768 | 0.65 | — | — | |
| SCHEMBL5178031 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL7943792 | 0.64 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL22771658 | 0.64 | TSHR (0.32) | — |
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-4111858-A | PROCESS FOR THE PREPARATION OF POLYHYDROXY METHYLENE ETHERS AND ION EXCHANGERS COMPOSED THEREOF | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |