⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38662405 | 0.83 | MAOA (0.32) | — | |
| SCHEMBL10304317 | 0.78 | — | — | |
| SCHEMBL8938901 | 0.76 | — | — | |
| SCHEMBL9066095 | 0.76 | — | — | |
| SCHEMBL11667517 | 0.76 | — | — | |
| SCHEMBL20643401 | 0.75 | — | — | |
| SCHEMBL24116746 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL22771845 | 0.74 | — | — | |
| SCHEMBL821676 | 0.74 | — | — | |
| SCHEMBL4407931 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334841-A1 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |
| WO-2016172496-A1 | LSD1 INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-10-27 | — | — | WO | disclosed |