⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16716000 | 0.97 | — | — | |
| SCHEMBL2633048 | 0.97 | — | — | |
| SCHEMBL36958 | 0.97 | — | — | |
| SCHEMBL29068737 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL6266107 | 0.93 | — | — | |
| Bromide SCHEMBL28152783 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL17156481 | 0.86 | — | — | |
| SCHEMBL19186436 | 0.85 | ALDH1A1 (0.54) | — | |
| SCHEMBL29190874 | 0.83 | ALDH1A1 (0.57) | — | |
| SCHEMBL26517360 | 0.83 | ALDH1A1 (0.57) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545678-A | CONTAINING EPOXIDE OR CARBONATE WITH AMINE AND PHENOL | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-13 | — | — | US | disclosed |
| US-5055542-A | From a polyamine and a cyclic carbonate, quaternized; for electrodeposition | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-08 | — | — | US | disclosed |