⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459305 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10336582 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL658327 | 0.66 | — | — | |
| SCHEMBL9814682 | 0.66 | — | — | |
| SCHEMBL27461449 | 0.64 | — | — | |
| SCHEMBL8844554 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL28207305 | 0.64 | PGK1 (0.32) | — | |
| SCHEMBL10348392 | 0.62 | — | — | |
| SCHEMBL9814651 | 0.62 | — | — | |
| SCHEMBL1778506 | 0.62 | — | — |
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-0281979-B1 | CYANOMETHYL-SUBSTITUTED ACID HALIDES OF PHOSPHORE, PROCESS FOR THEIR PREPARATION AND THE INTERMEDIATES CYANOMETHYL-METHYLPHOSPHINIC-ACID ALKYL ESTERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-08-28 | — | — | EP | disclosed |
| US-4904813-A | Cyanomethyl acid halides of phosphorus and process for their preparation | HOECHST AKTEINGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | disclosed |
| EP-0281979-A2 | Cyanomethyl-substituted acid halides of phosphore, process for their preparation and the intermediates cyanomethyl-methylphosphinic-acid alkyl esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-09-14 | — | — | EP | disclosed |