⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29078103 | 0.97 | — | — | |
| SCHEMBL20649486 | 0.59 | PNMT (0.30) | — | |
| SCHEMBL29977829 | 0.56 | — | — | |
| SCHEMBL14693137 | 0.48 | — | — | |
| SCHEMBL8057756 | 0.48 | — | — | |
| SCHEMBL1412044 | 0.47 | — | — | |
| SCHEMBL363279 | 0.40 | — | — | |
| Piperazine SCHEMBL28233990 | 0.37 | — | — | |
| SCHEMBL5706376 | 0.37 | — | — | |
| SCHEMBL825562 | 0.34 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4738919-A | PYRAZOLONE COMPOUNDS IN NON-PHOTOSENSITIVE LAYER;IMPROVED PROTECTION AGAINST FORMALDEHYDE | AGFA GEVAERT AKTIENGESELLSCHAFT (DE) | 1988-04-19 | — | — | US | claimed |
| CN-114075174-A | Heat-resistant explosive and synthesis method thereof | 南京理工大学 | 2022-02-22 | — | — | CN | disclosed |
| US-4124581-A | FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST | BAYER AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | disclosed |