⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7404423 | 0.69 | MAPT (0.31) | — | |
| SCHEMBL20060387 | 0.69 | — | — | |
| SCHEMBL6974943 | 0.64 | GABRR1 (0.31) | — | |
| SCHEMBL15062272 | 0.56 | CCR2 (0.32) | — | |
| SCHEMBL6981423 | 0.55 | TSHR (0.37) | — | |
| SCHEMBL27839063 | 0.55 | OAT (0.44) | — | |
| SCHEMBL3468250 | 0.53 | CA1 (0.32) | — | |
| SCHEMBL24447 | 0.53 | — | — | |
| SCHEMBL3467847 | 0.52 | — | — | |
| SCHEMBL3526544 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3309163-A1 | SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE | UBE Industries, Ltd. (JP) | 2018-04-18 | — | — | EP | disclosed |