⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL692447 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27762942 | 0.94 | — | — | |
| Water SCHEMBL27544647 | 0.94 | — | — | |
| SCHEMBL331543 | 0.84 | — | — | |
| Urea SCHEMBL28145685 | 0.83 | ALOX15 (0.37) | — | |
| SCHEMBL28550827 | 0.83 | — | — | |
| Propylene Oxide SCHEMBL27494581 | 0.81 | — | — | |
| Water SCHEMBL27568928 | 0.81 | — | — | |
| SCHEMBL1567062 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL646672 | 0.79 | — | — |
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-4467055-A | REACTION PRODUCT OF POLYAMINE AND CARBOXYLIC ACID | RHONE-POULENC CHIMIE DE BASE (FR) | 1984-08-21 | — | — | US | claimed |