⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16154712 | 0.82 | MAPK8 (0.33) | — | |
| SCHEMBL16154723 | 0.81 | HTT (0.33) | — | |
| SCHEMBL19788834 | 0.78 | — | — | |
| SCHEMBL17621278 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL17761167 | 0.77 | — | — | |
| SCHEMBL17544386 | 0.77 | PIK3CD (0.30) | — | |
| SCHEMBL20079064 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL19788773 | 0.75 | CRHR1 (0.34) | — | |
| SCHEMBL20079063 | 0.75 | — | — | |
| SCHEMBL19788778 | 0.75 | CDK8 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9873680-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2018-01-23 | — | — | US | disclosed |
| US-9873680-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2018-01-23 | — | — | US | disclosed |
| US-20160083368-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2016-03-24 | — | — | US | disclosed |