⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29459317 | 0.89 | NPC1 (0.32) | — | |
| SCHEMBL29459335 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL29775014 | 0.80 | PNMT (0.37) | — | |
| Hydrochloric Acid SCHEMBL22531003 | 0.80 | — | — | |
| SCHEMBL29907965 | 0.78 | AVPR2 (0.33) | — | |
| SCHEMBL29459195 | 0.78 | — | — | |
| SCHEMBL29459218 | 0.76 | PNMT (0.30) | — | |
| SCHEMBL29459211 | 0.74 | NPC1 (0.41) | — | |
| SCHEMBL29977494 | 0.74 | PNMT (0.33) | — | |
| SCHEMBL29700345 | 0.74 | HTR7 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113906059-B | Catalyst system | 博里利斯股份公司 | 2024-03-12 | — | — | CN | disclosed |
| EP-3953403-A1 | CATALYST SYSTEM | Borealis AG (AT) | 2022-02-16 | — | — | EP | disclosed |