⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20106858 | 0.84 | P2RY14 (0.30) | — | |
| SCHEMBL15507272 | 0.81 | SLC6A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL22797965 | 0.80 | SLC6A4 (0.38) | — | |
| SCHEMBL21088978 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL25924019 | 0.72 | — | — | |
| SCHEMBL20106862 | 0.71 | — | — | |
| SCHEMBL20106745 | 0.71 | ITGB3 (0.30) | — | |
| SCHEMBL21088402 | 0.70 | — | — | |
| SCHEMBL21088890 | 0.70 | NR1I2 (0.30) | — | |
| SCHEMBL20106999 | 0.70 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3532459-B1 | LSD1 INHIBITORS AND MEDICAL USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2023-08-02 | — | — | EP | disclosed |
| EP-3286172-B1 | LSD1 INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2019-06-12 | — | — | EP | disclosed |
| WO-2018081343-A1 | LSD1 INHIBITORS AND MEDICAL USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |