⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10796864 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL6441035 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4460887 | 0.71 | IDO1 (0.38) | — | |
| SCHEMBL10796513 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL3276592 | 0.68 | EPHX1 (0.33) | — | |
| SCHEMBL671115 | 0.61 | TDP1 (0.38) | — | |
| SCHEMBL1690392 | 0.61 | CHRM2 (0.37) | — | |
| SCHEMBL7184387 | 0.60 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8676107 | 0.59 | — | — | |
| SCHEMBL6053892 | 0.59 | TDP1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1270645-B1 | Resin for optical material | MITSUBISHI GAS CHEMICAL CO (JP) | 2005-12-14 | — | — | EP | disclosed |
| EP-0874016-B1 | Novel resin for optical material | MITSUBISHI GAS CHEMICAL CO (JP) | 2003-08-20 | — | — | EP | disclosed |
| EP-1270645-A1 | Resin for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-6117923-A | OXIDATION RESISTANCE. POLYMERIZING A NOVEL SULFUR-CONTAINING COMPOUND HAVING AN EPISULFIDE STRUCTURE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2000-09-12 | — | — | US | disclosed |
| EP-0874016-A2 | Novel resin for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1998-10-28 | — | — | EP | disclosed |