⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10708151 | 0.78 | — | — | |
| SCHEMBL5795120 | 0.75 | LMNA (0.50) | — | |
| SCHEMBL1712383 | 0.75 | — | — | |
| SCHEMBL3867281 | 0.74 | — | — | |
| SCHEMBL10577675 | 0.74 | NAALAD2 (0.46) | — | |
| SCHEMBL444933 | 0.74 | — | — | |
| SCHEMBL3545824 | 0.74 | — | — | |
| SCHEMBL28559412 | 0.73 | LMNA (0.47) | — | |
| SCHEMBL28751473 | 0.73 | LMNA (0.47) | — | |
| SCHEMBL2276513 | 0.72 | LMNA (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105585579-A | Compound, preparation method thereof, and preparation method of maytansine DM1 | NANJING LEVENA BIOPHARMA CO LTD | 2016-05-18 | — | — | CN | disclosed |