⚠ 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 | |
|---|---|---|---|---|
| Aziridine SCHEMBL9284109 | 1.00 | HIF1A (0.42) | — | |
| Aziridine SCHEMBL6346107 | 1.00 | — | — | |
| Piperazine SCHEMBL11268084 | 0.96 | HIF1A (0.50) | — | |
| Piperazine SCHEMBL8441646 | 0.96 | — | — | |
| SCHEMBL8643744 | 0.86 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL28384993 | 0.86 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL28388670 | 0.86 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL9525713 | 0.86 | — | — | |
| SCHEMBL11114485 | 0.81 | — | — | |
| Morpholine SCHEMBL28626743 | 0.80 | MEN1 (0.61) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667407-B2 | Forming isocyanate scavengers with reduced monomer content; reacting acrylate and aziridine components | BAYER POLYMERS LLC | 2003-12-23 | — | — | US | disclosed |
| US-20030208033-A1 | PROCESS OF MAKING POLYAZIRIDINES | COVESTRO LLC | 2003-11-06 | — | — | US | disclosed |
| US-5164467-A | Low temperature curing | PPG INDUSTRIES, INC. (US) | 1992-11-17 | — | — | US | disclosed |
| WO-1992012965-A1 | AZIRIDINE COMPOUNDS, ACRYLIC POLYMERS CONTAINING SAME AND COATING COMPOSITIONS CONTAINING SAID POLYMERS | PPG INDUSTRIES, INC. (US) | 1992-08-06 | — | — | WO | disclosed |
| US-5106993-A | Nontoxic, coating compositions which harden at low temperature | PPG INDUSTRIES INC. (US) | 1992-04-21 | — | — | US | disclosed |