⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8399201 | 0.72 | — | — | |
| SCHEMBL5697615 | 0.72 | KMT2A (0.30) | — | |
| SCHEMBL5703591 | 0.72 | — | — | |
| SCHEMBL29687165 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL5697617 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL7389611 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL9048508 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL5931955 | 0.69 | — | — | |
| SCHEMBL604334 | 0.69 | — | — | |
| SCHEMBL604333 | 0.69 | — | — |
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-103108866-B | cyclohexane derivative compound | DAIICHI SANKYO Co.,Ltd. (JP) | 2015-09-09 | — | — | CN | disclosed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |