⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15345219 | 0.72 | — | — | |
| SCHEMBL20074271 | 0.71 | — | — | |
| SCHEMBL10765234 | 0.69 | LMNA (0.61) | — | |
| SCHEMBL676728 | 0.69 | LMNA (0.61) | — | |
| SCHEMBL3105 | 0.69 | — | — | |
| SCHEMBL6691240 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9509927 | 0.69 | CYP1A2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL9509908 | 0.69 | CYP1A2 (0.46) | — | |
| SCHEMBL7640911 | 0.67 | BLM (0.58) | — | |
| Hydrochloric Acid SCHEMBL4714205 | 0.67 | — | — |
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-20130280766-A1 | HYBRID POLYKETIDE SYNTHASES | THE REGENTS OF THE UNVERSITY OF CALIFORNIA (US) | 2013-10-24 | — | — | US | disclosed |