⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11277842 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL24671118 | 0.72 | — | — | |
| SCHEMBL22002180 | 0.72 | — | — | |
| Tert-Butylamine SCHEMBL6383288 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL11566570 | 0.69 | — | — | |
| SCHEMBL19731137 | 0.69 | — | — | |
| SCHEMBL27563857 | 0.69 | — | — | |
| SCHEMBL231913 | 0.67 | — | — | |
| SCHEMBL75809 | 0.67 | — | — | |
| SCHEMBL18831873 | 0.67 | — | — |
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-5399776-A | Reaction of aldehyde impurities with a diamine | THE DOW CHEMICAL COMPANY (US) | 1995-03-21 | — | — | US | claimed |
| US-5399776-A | Reaction of aldehyde impurities with a diamine | THE DOW CHEMICAL COMPANY (US) | 1995-03-21 | — | — | US | disclosed |