⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19249582 | 0.91 | CYP3A4 (0.35) | — | |
| SCHEMBL19726587 | 0.75 | — | — | |
| SCHEMBL19249774 | 0.72 | — | — | |
| SCHEMBL2621618 | 0.72 | IDO1 (0.37) | — | |
| SCHEMBL18367683 | 0.71 | ACHE (0.33) | — | |
| SCHEMBL22515608 | 0.70 | IDO1 (0.33) | — | |
| SCHEMBL21419598 | 0.69 | ACHE (0.36) | — | |
| SCHEMBL21953543 | 0.69 | CYP19A1 (0.38) | — | |
| SCHEMBL22845192 | 0.69 | — | — | |
| SCHEMBL20458029 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017137895-A1 | NEW DENDRIMERIC PYRROLIDINES, THEIR SYNTHESIS AND MEDICAL USE | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2017-08-17 | — | — | WO | disclosed |