⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27627574 | 0.97 | ALDH1A1 (0.42) | — | |
| Water SCHEMBL21525772 | 0.97 | — | — | |
| SCHEMBL20472689 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL10422 | 0.97 | — | — | |
| Bicarbonate SCHEMBL10664237 | 0.94 | ALDH1A1 (0.41) | — | |
| Formaldehyde SCHEMBL30022751 | 0.94 | — | — | |
| Ethylene SCHEMBL28371033 | 0.94 | — | — | |
| SCHEMBL28419003 | 0.94 | — | — | |
| SCHEMBL3795943 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8373707 | 0.94 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776169-B2 | Water-based synthesis of poly(tetrazoles) and articles formed therefrom | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2010-08-17 | — | — | US | claimed |
| CN-110418574-A | FUNGICIDAL COMBINATIONS | UPL LTD | 2019-11-05 | — | — | CN | disclosed |
| JP-2013544767-A | — | — | 2013-12-19 | — | — | JP | disclosed |
| EP-2621895-A1 | ALPHA-CYANOACRYLATE ESTER SYNTHESIS | Loctite (R & D) Limited (IE) | 2013-08-07 | — | — | EP | disclosed |
| CN-103228623-A | Alpha-cyanoacrylate ester synthesis | HENKEL IRELAND LTD | 2013-07-31 | — | — | CN | disclosed |
| US-20130171092-A1 | ALPHA-CYANOACRYLATE ESTER SYNTHESIS | HENKEL IRELAND LIMITED (DE) | 2013-07-04 | — | — | US | disclosed |
| WO-2012041395-A1 | ALPHA-CYANOACRYLATE ESTER SYNTHESIS | LOCTITE (R & D) LIMITED (IE) | 2012-04-05 | — | — | WO | disclosed |