⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL364147 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29575364 | 0.90 | — | — | |
| SCHEMBL29662832 | 0.90 | — | — | |
| Methane SCHEMBL22750371 | 0.90 | — | — | |
| SCHEMBL4203470 | 0.88 | LMNA (0.33) | — | |
| Butane SCHEMBL28038675 | 0.86 | KDM4E (0.36) | — | |
| Cyclohexane SCHEMBL7111797 | 0.85 | ALDH1A1 (0.43) | — | |
| Ethyl Chloride SCHEMBL4751020 | 0.84 | — | — | |
| SCHEMBL10933886 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL27812723 | 0.80 | KDM4E (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5762908-A | Process for detecting potential carcinogens | HARVARD COLLEGE, PRESIDENT AND FELLOWS (US) | 1998-06-09 | — | — | US | disclosed |