⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1742470 | 0.78 | CES2 (0.44) | — | |
| SCHEMBL21805094 | 0.77 | PLG (0.39) | — | |
| SCHEMBL19922294 | 0.73 | PIK3CD (0.33) | — | |
| SCHEMBL10500490 | 0.72 | NR3C2 (0.34) | — | |
| SCHEMBL18533705 | 0.71 | PIK3CD (0.32) | — | |
| SCHEMBL25936320 | 0.71 | THRA (0.47) | — | |
| SCHEMBL14892803 | 0.71 | TP53 (0.40) | — | |
| SCHEMBL20501606 | 0.71 | TP53 (0.40) | — | |
| SCHEMBL11075590 | 0.71 | ROCK2 (0.36) | — | |
| SCHEMBL11086822 | 0.71 | ROCK2 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9745305-B2 | Modulators of methyl modifying enzymes, compositions and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2017-08-29 | — | — | US | disclosed |
| US-9745305-B2 | Modulators of methyl modifying enzymes, compositions and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2017-08-29 | — | — | US | disclosed |
| EP-2970305-B1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-2970305-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20160009718-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. | 2016-01-14 | — | — | US | disclosed |
| US-20160009718-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. | 2016-01-14 | — | — | US | disclosed |
| WO-2014151142-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2014-09-25 | — | — | WO | disclosed |