⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25914920 | 1.00 | — | — | |
| SCHEMBL7572162 | 1.00 | — | — | |
| SCHEMBL14999510 | 0.84 | ABCB11 (0.31) | — | |
| SCHEMBL41112 | 0.83 | NOS1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL15361564 | 0.80 | NOS1 (0.32) | — | |
| Bromide SCHEMBL384831 | 0.80 | NOS1 (0.32) | — | |
| Water SCHEMBL15361722 | 0.80 | NOS1 (0.32) | — | |
| SCHEMBL22582111 | 0.77 | — | — | |
| SCHEMBL22582101 | 0.77 | — | — | |
| SCHEMBL23544057 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999206-B1 | Process for producing alpha cyano acetic acid esters | BASF AG (DE) | 2002-09-18 | — | — | EP | disclosed |
| US-6130347-A | REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| EP-0999206-A1 | Process for producing alpha cyano acetic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |