⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9641088 | 1.00 | — | — | |
| SCHEMBL9856471 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL9856475 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL14730373 | 0.84 | — | — | |
| SCHEMBL16486617 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL14300795 | 0.80 | — | — | |
| SCHEMBL13184707 | 0.80 | — | — | |
| SCHEMBL19158135 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL8430984 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL8430987 | 0.78 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750540-A | SIDE EFFECT REDUCTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| US-5154802-A | Separating at least one alkadiene from at least one alkene using N-(beta-mercaptoethyl)-2-pyrrolidone as solvent | PHILLIPS PETROLEUM COMPANY (US) | 1992-10-13 | — | — | US | disclosed |
| EP-0348906-B1 | HEAT-RESISTANT RESIN COMPOSITION | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1992-10-07 | — | — | EP | disclosed |
| US-5151161-A | N-methyl-2-thiopyrrolidone or cyclotetramethylene sulfone as solvents for extraction | PHILLIPS PETROLEUM COMPANY (US) | 1992-09-29 | — | — | US | disclosed |
| US-5145562-A | Pyrrolidone derivatives | PHILLIPS PETROLEUM COMPANY (US) | 1992-09-08 | — | — | US | disclosed |
| US-5135617-A | N-/b-hydroxyethyl/-2-pyrrolidone and/or cyclohexanol as solvent | PHILLIPS PETROLEUM COMPANY (US) | 1992-08-04 | — | — | US | disclosed |
| US-5001199-A | Selective hydrogenation process | SHELL OIL COMPANY (US) | 1991-03-19 | — | — | US | disclosed |
| US-4994515-A | Resin of styrene and unsaturated imide, high impact thermoplastic, bromine-containing reaction product, silicon resin or compound | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1991-02-19 | — | — | US | disclosed |
| US-4879349-A | CONJUGATED OLEFIN POLYMER | SHELL OIL COMPANY (US) | 1989-11-07 | — | — | US | disclosed |
| EP-0315280-A2 | Selective hydrogenation process | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-05-10 | — | — | EP | disclosed |