⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21159852 | 1.00 | — | — | |
| SCHEMBL19090282 | 1.00 | — | — | |
| SCHEMBL3237629 | 1.00 | — | — | |
| SCHEMBL21998514 | 1.00 | — | — | |
| SCHEMBL20992579 | 1.00 | — | — | |
| SCHEMBL24727546 | 0.83 | — | — | |
| SCHEMBL4162254 | 0.79 | — | — | |
| SCHEMBL17057418 | 0.79 | — | — | |
| SCHEMBL21776321 | 0.79 | — | — | |
| SCHEMBL18611849 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10822352-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-11-03 | — | — | US | disclosed |
| US-10287301-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2019-05-14 | — | — | US | disclosed |
| US-20170355695-A1 | SMYD Inhibitors | Epizyme, Inc. (US) | 2017-12-14 | — | — | US | disclosed |
| US-20170190676-A1 | Isoxazole Carboxamide Compounds | Epizyme, Inc. (US) | 2017-07-06 | — | — | US | disclosed |