⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461717 | 0.81 | — | — | |
| Acetic Acid SCHEMBL1181677 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL4541563 | 0.79 | RAB9A (0.36) | — | |
| SCHEMBL13757277 | 0.78 | — | — | |
| SCHEMBL727288 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL4541559 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL21578074 | 0.76 | — | — | |
| SCHEMBL7149327 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL15604290 | 0.74 | — | — | |
| SCHEMBL6210788 | 0.74 | ALDH1A1 (0.45) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170226177-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. | 2017-08-10 | — | — | US | disclosed |
| WO-2017044633-A1 | PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 | AILERON THERAPEUTICS, INC. (US) | 2017-03-16 | — | — | WO | disclosed |
| US-9522947-B2 | Peptidomimetic macrocycles | AILERON THERAPEUTICS, INC. (US) | 2016-12-20 | — | — | US | disclosed |
| US-9096684-B2 | Peptidomimetic macrocycles | AILERON THERAPEUTICS, INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140256639-A1 | PEPTOID NEUTRALIZING AGENTS | UNIV CALIFORNIA (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256638-A1 | PEPTOID NEUTRALIZING AGENTS | UNIV CALIFORNIA (US) | 2014-09-11 | — | — | US | disclosed |
| US-20130123169-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-7176044-B2 | B-stageable die attach adhesives | HENKEL CORPORATION (US) | 2007-02-13 | — | — | US | disclosed |