⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL11837613 | 0.94 | — | — | |
| Pyrrolidine SCHEMBL28043972 | 0.85 | — | — | |
| Piperidine SCHEMBL20481933 | 0.82 | — | — | |
| Azepane SCHEMBL15936487 | 0.82 | ALDH1A1 (0.75) | — | |
| Aziridine SCHEMBL27781146 | 0.80 | — | — | |
| Aziridine SCHEMBL3089497 | 0.79 | — | — | |
| Aziridine SCHEMBL2267 | 0.79 | — | — | |
| Aziridine SCHEMBL16878816 | 0.79 | — | — | |
| Piperazine SCHEMBL11729197 | 0.75 | HIF1A (0.75) | — | |
| Aziridine SCHEMBL8507568 | 0.75 | — | — |
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-5429726-A | Using polyethylenimine formaldehyde scavengers and measurement with polarography | THE YELLOW SPRINGS INSTRUMENT COMPANY, INC. (US) | 1995-07-04 | — | — | US | claimed |
| WO-1999030781-A1 | FORMULATION AND METHOD FOR NEUTRALIZATION OF FORMALDEHYDE | ISOLYSER COMPANY, INC. (US) | 1999-06-24 | — | — | WO | disclosed |