⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9107227 | 0.67 | — | — | |
| Ethylenediamine SCHEMBL8391022 | 0.67 | — | — | |
| Ethylenediamine SCHEMBL9441895 | 0.67 | TSHR (0.42) | — | |
| Ethylamine SCHEMBL10687922 | 0.63 | — | — | |
| Ethylamine SCHEMBL10687916 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL8943385 | 0.59 | — | — | |
| SCHEMBL11417955 | 0.59 | — | — | |
| SCHEMBL340276 | 0.56 | — | — | |
| SCHEMBL14045251 | 0.56 | — | — | |
| SCHEMBL19053 | 0.54 | — | — |
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-20170202863-A1 | PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-07-20 | — | — | US | disclosed |
| EP-0002031-B1 | METHODS OF INHIBITING PLANT AND COMBATING WEEDS USING ALPHA-AMINOALKANEPHOSPHONOUS ACIDS | CIBA-GEIGY AG (CH) | 1982-02-03 | — | — | EP | disclosed |
| US-4213969-A | Phosphonous acid derivatives, processes for their preparation and their use in combatting microorganisms | CIBA-GEIGY CORPORATION (US) | 1980-07-22 | — | — | US | disclosed |
| US-4205977-A | POSTEMERGENCE HERBICIDES, GRASSES | CIBA-GEIGY CORPORATION (US) | 1980-06-03 | — | — | US | disclosed |
| EP-0002039-A1 | Phosphonous acid derivatives, processes for their preparation and their use in combating microorganisms | CIBA-GEIGY AG (CH) | 1979-05-30 | — | — | EP | disclosed |