⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16042911 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL8057161 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL394142 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL891437 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL8050608 | 0.77 | — | — | |
| SCHEMBL9675539 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL10906958 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL5897685 | 0.73 | — | — | |
| SCHEMBL4725856 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL135552 | 0.69 | TSHR (0.46) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7008899-B2 | Lanthanide-based catalyst composition for producing cis-1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2006-03-07 | — | — | US | claimed |
| US-20050038215-A1 | Lanthanide-based catalyst composition for producing cis-1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2005-02-17 | — | — | US | claimed |
| US-7008899-B2 | Lanthanide-based catalyst composition for producing cis-1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2006-03-07 | — | — | US | disclosed |
| US-20050038215-A1 | Lanthanide-based catalyst composition for producing cis-1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2005-02-17 | — | — | US | disclosed |
| US-6197894-B1 | IN THE PRESENCE OF HYDROGEN USING A CATALYST CONSISTING OF AN AMINE COMPOUND AND A METALLIC COMPLEX OF AN ORGANIC PHOSPHOROUS COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-03-06 | — | — | US | disclosed |
| US-6114496-A | Biodegradable resin composition and preparation process thereof | NISHIKAWA RUBBER CO., LTD. (JP) | 2000-09-05 | — | — | US | disclosed |
| US-5654457-A | Method for synthesizing alkyl tin fluorides | TH. GOLDSCHMIDT AG. (DE) | 1997-08-05 | — | — | US | disclosed |
| US-4578489-A | MICROBIOCIDES; WATER SOLUBILITY | CIBA-GEIGY CORPORATION (US) | 1986-03-25 | — | — | US | disclosed |
| EP-0108039-A2 | Ammonium stannates-(IV) | CIBA-GEIGY AG (CH) | 1984-05-09 | — | — | EP | disclosed |