⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8283271 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2520252 | 0.84 | — | — | |
| SCHEMBL1303658 | 0.74 | — | — | |
| SCHEMBL20200115 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17187738 | 0.73 | BRD4 (0.39) | — | |
| SCHEMBL20391285 | 0.73 | — | — | |
| SCHEMBL10880843 | 0.73 | — | — | |
| SCHEMBL16424982 | 0.73 | — | — | |
| SCHEMBL13338064 | 0.72 | BRD4 (0.31) | — | |
| SCHEMBL10865219 | 0.71 | AKR1C3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015010626-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND USE THEREOF | AGIOS PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | WO | disclosed |
| WO-2015010297-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | WO | disclosed |