⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14800589 | 0.80 | CCR1 (0.32) | — | |
| SCHEMBL30236983 | 0.76 | PDGFRB (0.31) | — | |
| SCHEMBL22657170 | 0.76 | FFAR1 (0.32) | — | |
| SCHEMBL31378591 | 0.76 | LPL (0.39) | — | |
| SCHEMBL17752336 | 0.76 | LPL (0.39) | — | |
| SCHEMBL16094541 | 0.76 | PDGFRB (0.31) | — | |
| SCHEMBL15923768 | 0.76 | EGFR (0.33) | — | |
| SCHEMBL30078243 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL4729108 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL27050551 | 0.73 | KDM4E (0.31) | — |
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-2020190754-A1 | MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS | Fulcrum Therapeutics, Inc. (US) | 2020-09-24 | — | — | WO | disclosed |