⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3026177 | 1.00 | — | — | |
| SCHEMBL18887991 | 0.72 | — | — | |
| SCHEMBL384477 | 0.71 | — | — | |
| SCHEMBL26005638 | 0.71 | — | — | |
| SCHEMBL16144881 | 0.71 | — | — | |
| SCHEMBL7678104 | 0.71 | — | — | |
| SCHEMBL26005640 | 0.71 | — | — | |
| SCHEMBL11571397 | 0.69 | RAB9A (0.39) | — | |
| SCHEMBL20755583 | 0.69 | — | — | |
| SCHEMBL7923365 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010060112-A1 | PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES | AILERON THERAPEUTICS, INC. (US) | 2010-05-27 | — | — | WO | disclosed |
| WO-2010034034-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2010-03-25 | — | — | WO | disclosed |
| WO-2010034028-A1 | PEPTIDOMIMETIC MARCROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2010-03-25 | — | — | WO | disclosed |