⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21479503 | 0.88 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL21475297 | 0.86 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL22991781 | 0.81 | ICAM1 (0.38) | — | |
| SCHEMBL21479532 | 0.81 | ICAM1 (0.38) | — | |
| SCHEMBL23008046 | 0.81 | ICAM1 (0.38) | — | |
| SCHEMBL21479531 | 0.81 | ICAM1 (0.38) | — | |
| SCHEMBL21475295 | 0.78 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL21479495 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL21475332 | 0.77 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23008047 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210047283-A1 | NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2021-02-18 | — | — | US | disclosed |
| WO-2019198678-A1 | NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND | 高砂香料工業株式会社 | 2019-10-17 | — | — | WO | disclosed |