⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10298257 | 0.77 | — | — | |
| SCHEMBL25340095 | 0.77 | — | — | |
| SCHEMBL2572637 | 0.77 | — | — | |
| SCHEMBL24614669 | 0.75 | ALOX15 (0.37) | — | |
| SCHEMBL10288176 | 0.74 | — | — | |
| SCHEMBL14282889 | 0.74 | — | — | |
| SCHEMBL25056821 | 0.72 | CA12 (0.41) | — | |
| SCHEMBL7543226 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL3356851 | 0.70 | ALOX15 (0.48) | — | |
| SCHEMBL1135174 | 0.70 | ALOX15 (0.48) | — |
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-8507494-B2 | Heterocyclic quinolizine derived M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2013-08-13 | — | — | US | disclosed |
| US-20130040959-A1 | Heterocyclic Quinolizine Derived M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME LLC | 2013-02-14 | — | — | US | disclosed |