⚠ 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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL15110746 | 1.00 | — | — | |
| Cyclooctane SCHEMBL11365215 | 1.00 | — | — | |
| Cyclopropane SCHEMBL593603 | 1.00 | — | — | |
| Cyclopropane SCHEMBL7188678 | 0.73 | — | — | |
| Cyclopentane SCHEMBL12475482 | 0.73 | — | — | |
| Cyclohexane SCHEMBL12475590 | 0.73 | — | — | |
| Ethane SCHEMBL9395318 | 0.73 | — | — | |
| Cyclooctane SCHEMBL8564806 | 0.73 | — | — | |
| SCHEMBL25378505 | 0.71 | ALDH1A1 (0.33) | — | |
| Cyclooctane SCHEMBL11038481 | 0.71 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110128843-B | Fluorescent dye and preparation method and application thereof | 深圳大学 | 2023-07-14 | — | — | CN | disclosed |
| US-20090137577-A1 | HETEROCYCLIC COMPOUNDS | PFIZER INC. | 2009-05-28 | — | — | US | disclosed |
| US-4511566-A | ANALGESICS | PIERRE FABRE S.A. (FR) | 1985-04-16 | — | — | US | disclosed |