⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26468598 | 0.87 | — | — | |
| SCHEMBL26468603 | 0.81 | HSD17B10 (0.39) | — | |
| SCHEMBL26468601 | 0.81 | SLC25A5 (0.38) | — | |
| SCHEMBL26468595 | 0.68 | SLC25A5 (0.36) | — | |
| SCHEMBL9614740 | 0.59 | LMNA (0.31) | — | |
| SCHEMBL15370234 | 0.59 | BACE1 (0.39) | — | |
| SCHEMBL25900469 | 0.58 | — | — | |
| SCHEMBL11698893 | 0.56 | SLC25A5 (0.57) | — | |
| SCHEMBL29829226 | 0.54 | ALDH1A1 (0.37) | — | |
| Amobarbital SCHEMBL1818832 | 0.53 | LMNA (0.61) | — |
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-20230138884-A1 | HUMULUS SPECIES AS INDUSTRIAL CHEMICAL FEEDSTOCKS | P2 SCIENCE, INC. | 2023-05-04 | — | — | US | disclosed |
| US-20230138884-A1 | HUMULUS SPECIES AS INDUSTRIAL CHEMICAL FEEDSTOCKS | P2 SCIENCE, INC. | 2023-05-04 | — | — | US | disclosed |