⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8610940 | 1.00 | — | — | |
| SCHEMBL11306688 | 0.86 | — | — | |
| SCHEMBL20997717 | 0.86 | — | — | |
| SCHEMBL23328523 | 0.86 | ESR2 (0.33) | — | |
| SCHEMBL8611513 | 0.86 | ESR2 (0.37) | — | |
| SCHEMBL4088177 | 0.84 | ESR2 (0.42) | — | |
| SCHEMBL3779872 | 0.84 | ESR2 (0.42) | — | |
| SCHEMBL18995729 | 0.84 | ESR2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL29210817 | 0.82 | ESR2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL31177800 | 0.82 | ESR2 (0.41) | — |
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-2020260252-A1 | NEW MACROCYCLIC COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-12-30 | — | — | WO | disclosed |