⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13576612 | 0.76 | — | — | |
| SCHEMBL14452300 | 0.76 | — | — | |
| SCHEMBL13576632 | 0.73 | NOS1 (0.47) | — | |
| SCHEMBL8635384 | 0.73 | NOS1 (0.40) | — | |
| SCHEMBL14228751 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL22421751 | 0.73 | — | — | |
| SCHEMBL23130494 | 0.71 | NOS3 (0.31) | — | |
| SCHEMBL22004957 | 0.71 | — | — | |
| SCHEMBL2332955 | 0.71 | — | — | |
| SCHEMBL14256662 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1586554-B1 | Purification of 1,3-bis(aminomethyl)cyclohexane by distillation | MITSUBISHI GAS CHEMICAL CO (JP) | 2008-06-25 | — | — | EP | disclosed |
| US-6984758-B2 | Purification of 1,3-bis(aminomethyl)cyclohexane by distillation | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2006-01-10 | — | — | US | disclosed |
| EP-1586554-A1 | Purification of 1,3-bis(aminomethyl)cyclohexane by distillation | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-10-19 | — | — | EP | disclosed |
| US-20050215824-A1 | PURIFICATION OF 1,3-BIS(AMINOMETHYL)CYCLOHEXANE BY DISTILLATION | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2005-09-29 | — | — | US | disclosed |