⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276695 | 1.00 | — | — | |
| SCHEMBL19866056 | 0.91 | ACE2 (0.41) | — | |
| SCHEMBL16539159 | 0.88 | CA1 (0.40) | — | |
| SCHEMBL17335572 | 0.88 | CA1 (0.40) | — | |
| SCHEMBL7530291 | 0.87 | BLM (0.50) | — | |
| SCHEMBL19554549 | 0.86 | SOAT1 (0.41) | — | |
| SCHEMBL1509700 | 0.84 | CA1 (0.35) | — | |
| SCHEMBL23279355 | 0.84 | SOAT1 (0.44) | — | |
| SCHEMBL19577868 | 0.84 | SOAT1 (0.44) | — | |
| SCHEMBL7383174 | 0.84 | SOAT1 (0.44) | — |
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-2020047035-A1 | METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS | CHEMOCENTRYX, INC. (US) | 2020-03-05 | — | — | WO | disclosed |
| EP-3492492-A1 | METHODS FOR PREPARING PURIFIED POLYPEPTIDE COMPOSITIONS | Aileron Therapeutics, Inc. (US) | 2019-06-05 | — | — | EP | disclosed |
| EP-2342222-B1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS INC (US) | 2018-03-21 | — | — | EP | disclosed |