⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20094732 | 0.90 | — | — | |
| SCHEMBL22147420 | 0.80 | — | — | |
| SCHEMBL2211096 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL18140855 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL14254730 | 0.71 | — | — | |
| SCHEMBL22147424 | 0.71 | — | — | |
| SCHEMBL4857665 | 0.70 | — | — | |
| SCHEMBL7057040 | 0.69 | — | — | |
| SCHEMBL5743940 | 0.69 | — | — | |
| SCHEMBL18141551 | 0.68 | TGFBR1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7026372-B2 | Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2006-04-11 | — | — | US | disclosed |
| US-20050154073-A1 | Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof | ISHII KENJI (JP) | 2005-07-14 | — | — | US | disclosed |
| US-6872333-B2 | Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof | MITSUBISHI GAS CHEMICAL COMPANY, LTD. (JP) | 2005-03-29 | — | — | US | disclosed |
| US-20030195270-A1 | Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof | ISHII KENJI (JP) | 2003-10-16 | — | — | US | disclosed |