⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4970428 | 0.85 | GABRR1 (0.46) | — | |
| SCHEMBL15549648 | 0.78 | — | — | |
| SCHEMBL576851 | 0.78 | — | — | |
| SCHEMBL4289130 | 0.78 | — | — | |
| SCHEMBL14214372 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17274559 | 0.76 | GRIK1 (0.47) | — | |
| SCHEMBL10477518 | 0.76 | GRIK1 (0.50) | — | |
| SCHEMBL15551689 | 0.76 | GRIK1 (0.50) | — | |
| SCHEMBL12065373 | 0.76 | GABRR1 (0.50) | — | |
| SCHEMBL19368334 | 0.73 | GABRR1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012173846-A2 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2010060112-A1 | PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES | AILERON THERAPEUTICS, INC. (US) | 2010-05-27 | — | — | WO | disclosed |