⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8382084 | 0.84 | — | — | |
| SCHEMBL133285 | 0.77 | — | — | |
| SCHEMBL33925 | 0.77 | — | — | |
| SCHEMBL29700130 | 0.77 | — | — | |
| SCHEMBL169708 | 0.77 | POLB (0.34) | — | |
| Hydrochloric Acid SCHEMBL29530802 | 0.74 | — | — | |
| SCHEMBL9632330 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL34276 | 0.71 | — | — | |
| SCHEMBL9386099 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL19549245 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025072741-A1 | PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2025-04-03 | — | — | WO | claimed |
| WO-2025072741-A1 | PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2025-04-03 | — | — | WO | disclosed |