⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3667302 | 0.96 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9004738 | 0.96 | — | — | |
| SCHEMBL11352266 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL3667301 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL3675466 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9004739 | 0.89 | RAD52 (0.33) | — | |
| SCHEMBL11218521 | 0.79 | — | — | |
| SCHEMBL19753631 | 0.78 | — | — | |
| SCHEMBL7594180 | 0.78 | — | — | |
| SCHEMBL21891345 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| EP-1828097-B1 | METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE | BASF SE (DE) | 2008-05-07 | — | — | EP | disclosed |
| US-20050288455-A1 | Curable epoxy resin composition | THE YOKOHAMA RUBBER CO., LTD. | 2005-12-29 | — | — | US | disclosed |
| US-6960640-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20040147708-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |
| EP-0002431-B2 | TRANSPARENT POLYAMIDES AND THEIR USE FOR MAKING MOULDINGS | BAYER AG (DE) | 1985-03-20 | — | — | EP | disclosed |
| EP-0002431-B1 | TRANSPARENT POLYAMIDES AND THEIR USE FOR MAKING MOULDINGS | BAYER AG (DE) | 1981-03-25 | — | — | EP | disclosed |
| EP-0002431-A1 | Transparent polyamides and their use for making mouldings | BAYER AG (DE) | 1979-06-27 | — | — | EP | disclosed |