⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13623847 | 1.00 | — | — | |
| SCHEMBL13575708 | 0.98 | CNR2 (0.30) | — | |
| SCHEMBL13575703 | 0.95 | — | — | |
| SCHEMBL14049576 | 0.95 | — | — | |
| SCHEMBL23332415 | 0.75 | CTSK (0.38) | — | |
| SCHEMBL27832221 | 0.74 | CTSK (0.35) | — | |
| SCHEMBL14049642 | 0.73 | ADRB2 (0.31) | — | |
| SCHEMBL27487963 | 0.72 | ADH1B (0.45) | — | |
| SCHEMBL15494046 | 0.72 | ADH1B (0.45) | — | |
| SCHEMBL22110375 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120190818-A1 | TRIAZOLE MACROCYCLE SYSTEMS | AILERON THERAPEUTICS, INC. (US) | 2012-07-26 | — | — | US | disclosed |
| US-20120178700-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120172311-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| US-20120149648-A1 | THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120115793-A1 | PEPTIDOMIMETIC MACROCYCLES | Alleron therapeutics, Inc (US) | 2012-05-10 | — | — | US | disclosed |
| US-20120101047-A1 | PEPTIDOMIMETIC MACROCYCLES | Aileron Therapetics Inc. (US) | 2012-04-26 | — | — | US | disclosed |
| US-20120040889-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-20100298201-A1 | PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES | AILERON THERAPEUTICS, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| US-20090275519-A1 | Therapeutic peptidomimetic macrocycles | AILERON THERAPEUTICS, INC. (US) | 2009-11-05 | — | — | US | disclosed |