⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17029872 | 0.77 | — | — | |
| SCHEMBL543386 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL11209070 | 0.73 | — | — | |
| SCHEMBL10703317 | 0.71 | — | — | |
| SCHEMBL8863453 | 0.71 | CA1 (0.45) | — | |
| SCHEMBL21668241 | 0.69 | — | — | |
| SCHEMBL14134143 | 0.69 | — | — | |
| SCHEMBL151744 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL9815822 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL24701847 | 0.68 | TRPA1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103319372-B | Method for producing light colored dicyclohexyl methane diisocyanate | WANHUA CHEMICAL GROUP CO LTD | 2014-11-05 | — | — | CN | disclosed |
| CN-103319372-A | Method for producing light colored dicyclohexyl methane diisocyanate | WANHUA CHEMICAL GROUP CO LTD | 2013-09-25 | — | — | CN | disclosed |