⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45721 | 1.00 | — | — | |
| SCHEMBL30181320 | 1.00 | — | — | |
| SCHEMBL9995864 | 1.00 | — | — | |
| SCHEMBL812499 | 0.97 | TSHR (0.38) | — | |
| SCHEMBL7571822 | 0.91 | HCAR2 (0.33) | — | |
| Butadiene SCHEMBL9835483 | 0.91 | TSHR (0.33) | — | |
| 1,1-Dichloroethene SCHEMBL7776581 | 0.89 | MEN1 (0.32) | — | |
| SCHEMBL10423 | 0.80 | — | — | |
| SCHEMBL17912275 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL996827 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0045527-B1 | CIS, CIS MUCONIC ACID MONONITRILE AND COPPER (II) SALTS THEREOF | ALLIED CORPORATION (US) | 1983-11-16 | — | — | EP | disclosed |
| EP-0009369-B1 | PREPARATION OF MUCONIC ACID MONONITRILES AND COPPER(II)-AMMONIA REAGENT THEREFOR | ALLIED CORPORATION (US) | 1983-06-22 | — | — | EP | disclosed |
| US-4335010-A | BY REACTING A COPPER HALIDE WITH OXYGEN AND AMMONIA OR AMMONIUM HYDROXIDE | ALLIED CORPORATION (US) | 1982-06-15 | — | — | US | disclosed |
| US-4329498-A | DECYCLIZATION, CYANATION, OXIDATION | ALLIED CORPORATION (US) | 1982-05-11 | — | — | US | disclosed |
| EP-0045527-A2 | Cis, cis muconic acid mononitrile and copper (II) salts thereof | ALLIED CORPORATION (US) | 1982-02-10 | — | — | EP | disclosed |
| US-4277419-A | FROM PHENOLS, CATECHOLS, OR O-BENZOQUINONES | ALLIED CHEMICAL CORPORATION (US) | 1981-07-07 | — | — | US | disclosed |
| EP-0009369-A1 | Preparation of muconic acid mononitriles and copper(II)-ammonia reagent therefor | ALLIED CORPORATION (US) | 1980-04-02 | — | — | EP | disclosed |