⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18558971 | 0.85 | — | — | |
| SCHEMBL19412827 | 0.79 | — | — | |
| SCHEMBL18745832 | 0.77 | — | — | |
| SCHEMBL18532065 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL22666657 | 0.76 | — | — | |
| SCHEMBL13862671 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL21534518 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL23836853 | 0.72 | — | — | |
| SCHEMBL23490179 | 0.72 | — | — | |
| SCHEMBL23343642 | 0.71 | — | — |
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-9949971-B2 | Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor and/or a JAK-2 inhibitor | ACERTA PHARMA B.V. (NL) | 2018-04-24 | — | — | US | disclosed |
| US-20180019412-A1 | Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Quinone Compound And Uses Thereof | NOVOZYMES, INC. (US) | 2018-01-18 | — | — | US | disclosed |
| US-9745313-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-29 | — | — | US | disclosed |
| US-20170224819-A1 | Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor | ACERTA PHARMA BV (NL) | 2017-08-10 | — | — | US | disclosed |