⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12292298 | 0.77 | LGALS8 (0.33) | — | |
| SCHEMBL21561701 | 0.76 | — | — | |
| SCHEMBL12950636 | 0.76 | — | — | |
| SCHEMBL18793725 | 0.73 | — | — | |
| SCHEMBL13515656 | 0.72 | TLR4 (0.31) | — | |
| SCHEMBL26029378 | 0.72 | TLR4 (0.31) | — | |
| SCHEMBL21561696 | 0.72 | TLR4 (0.31) | — | |
| SCHEMBL18390210 | 0.72 | TLR4 (0.31) | — | |
| SCHEMBL22080622 | 0.72 | — | — | |
| SCHEMBL12291562 | 0.70 | TLR4 (0.45) | — |
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-2013075233-A1 | METHOD FOR TREATING BRAIN CANCER | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) | 2013-05-30 | — | — | WO | disclosed |