⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL187238 | 0.71 | — | — | |
| SCHEMBL16765832 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL12133516 | 0.60 | — | — | |
| SCHEMBL647262 | 0.60 | TSHR (0.31) | — | |
| SCHEMBL1515656 | 0.59 | — | — | |
| SCHEMBL12133518 | 0.58 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL1350431 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL933589 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL20721135 | 0.57 | — | — | |
| SCHEMBL17776997 | 0.55 | — | — |
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-5210306-A | Making polyalkylene polyamines by catalytic condensation of alkanolamines or alkylene glycols with alkyleneamines or more alkanolamines using metatungstate catalysts with phosphorus-free promoters | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-05-11 | — | — | US | claimed |