⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6676535 | 0.88 | TSHR (0.47) | — | |
| SCHEMBL7478132 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL42740 | 0.80 | — | — | |
| SCHEMBL558041 | 0.79 | — | — | |
| SCHEMBL28038163 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL5583300 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL59981 | 0.75 | — | — | |
| SCHEMBL1971851 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL16774630 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL27963008 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5550276-A | OIL ADDITIVES | CIBA-GEIGY CORPORATION (US) | 1996-08-27 | — | — | US | disclosed |
| EP-0438375-B1 | Phosphonic acids and thiophosphonic acid derivatives | CIBA GEIGY AG (CH) | 1995-12-27 | — | — | EP | disclosed |
| US-4959167-A | WEAR RESISTANCE, CORROSION RESISTANCE, HIGH PRESSURE | CIBA-GEIGY CORPORATION (US) | 1990-09-25 | — | — | US | disclosed |
| EP-0328488-A2 | Asymmetric disulfides in lubricant compositions | CIBA-GEIGY AG (CH) | 1989-08-16 | — | — | EP | disclosed |
| US-4321191-A | THIO-CONTAINING POLYESTERS, POLYCARBONATES, AND COMPOUNDS; HEAT RESISTANCE; DISCOLORATION INHIBITION; MECHANICAL PROPERTIES | ARGUS CHEMICAL CORP. (US) | 1982-03-23 | — | — | US | disclosed |
| US-4255301-A | HEAT RESISTANCE, PHOTOSTABILITY | ARGUS CHEMICAL CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |