⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22702730 | 0.91 | KMT2A (0.67) | — | |
| SCHEMBL12778423 | 0.80 | — | — | |
| SCHEMBL1760707 | 0.78 | — | — | |
| SCHEMBL17865574 | 0.76 | — | — | |
| SCHEMBL122098 | 0.76 | — | — | |
| SCHEMBL25457566 | 0.76 | — | — | |
| SCHEMBL16361721 | 0.74 | — | — | |
| SCHEMBL16034167 | 0.74 | TSHR (0.56) | — | |
| SCHEMBL623308 | 0.74 | — | — | |
| SCHEMBL10745410 | 0.72 | — | — |
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-2012034232-A1 | TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS | NEUROQUEST INC. (CA) | 2012-03-22 | — | — | WO | disclosed |