⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4885552 | 0.90 | — | — | |
| SCHEMBL4883857 | 0.86 | KDM5A (0.31) | — | |
| SCHEMBL4884387 | 0.84 | — | — | |
| SCHEMBL4888911 | 0.77 | — | — | |
| SCHEMBL4879517 | 0.76 | — | — | |
| SCHEMBL4880454 | 0.74 | — | — | |
| SCHEMBL4890084 | 0.72 | — | — | |
| SCHEMBL4881420 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL4881260 | 0.70 | — | — | |
| SCHEMBL4879311 | 0.70 | ALDH1A1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080167324-A1 | Thiazolymethyl and Oxazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-07-10 | — | — | US | disclosed |
| US-20080167324-A1 | Thiazolymethyl and Oxazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-07-10 | — | — | US | disclosed |
| US-20080167324-A1 | Thiazolymethyl and Oxazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-07-10 | — | — | US | disclosed |
| WO-2006093911-A2 | THIAZOLYLMETHYL AND OXAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2006-09-08 | — | — | WO | disclosed |