⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8415036 | 0.64 | — | — | |
| SCHEMBL16517224 | 0.55 | — | — | |
| SCHEMBL27723749 | 0.54 | TSHR (0.41) | — | |
| SCHEMBL4899176 | 0.53 | — | — | |
| SCHEMBL31091494 | 0.52 | — | — | |
| SCHEMBL8565178 | 0.48 | MAOA (0.35) | — | |
| SCHEMBL813575 | 0.48 | TSHR (0.35) | — | |
| SCHEMBL22362544 | 0.48 | TSHR (0.35) | — | |
| SCHEMBL813574 | 0.48 | TSHR (0.35) | — | |
| SCHEMBL10964095 | 0.48 | ALOX15 (0.36) | — |
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-105916857-A | Pyrrolopyrrolone derivatives and their use as BET inhibitors | 诺华股份有限公司 | 2016-08-31 | — | — | CN | disclosed |