⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12964485 | 0.90 | TSHR (0.41) | — | |
| SCHEMBL9452628 | 0.85 | TSHR (0.44) | — | |
| SCHEMBL3295835 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL9323539 | 0.76 | — | — | |
| SCHEMBL10954640 | 0.76 | — | — | |
| SCHEMBL11627056 | 0.76 | — | — | |
| Nitric Acid SCHEMBL10611129 | 0.74 | CA5A (0.47) | — | |
| SCHEMBL25875771 | 0.74 | — | — | |
| SCHEMBL12219493 | 0.73 | — | — | |
| SCHEMBL27522126 | 0.72 | TSHR (0.45) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3151820-A1 | IMMUNOREGULATORY AGENTS | Flexus Biosciences, Inc. (US) | 2017-04-12 | — | — | EP | disclosed |
| WO-2015188085-A1 | IMMUNOREGULATORY AGENTS | FLEXUS BIOSCIENCES, INC. (US) | 2015-12-10 | — | — | WO | disclosed |
| EP-0296686-B1 | A PROCESS FOR THE PREPARATION OF CARBAMATES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-04-01 | — | — | EP | disclosed |
| EP-0296686-A1 | A process for the preparation of carbamates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-12-28 | — | — | EP | disclosed |
| EP-0086281-B2 | PREPARATION OF CARBAMATES USING A PALLADIUM-CONTAINING CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-10-19 | — | — | EP | disclosed |
| EP-0086281-B1 | PREPARATION OF CARBAMATES USING A PALLADIUM-CONTAINING CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-05-15 | — | — | EP | disclosed |
| US-4474978-A | Preparation of carbamates | SHELL OIL COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| EP-0086281-A1 | Preparation of carbamates using a palladium-containing catalyst | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | disclosed |
| US-3989755-A | CATALYST COMPRISING SELENIUM METAL OR INORGANIC SALTS, AND A BASE | ATLANTIC RICHFIELD COMPANY (US) | 1976-11-02 | — | — | US | disclosed |
| US-3953488-A | Method for preparing aliphatic and cycloaliphatic isothiocyanates | OLIN CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |