⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30173906 | 0.66 | GABRP (0.34) | — | |
| SCHEMBL16660697 | 0.65 | MAPT (0.41) | — | |
| SCHEMBL27702560 | 0.62 | ALDH1A1 (0.42) | — | |
| SCHEMBL28248599 | 0.61 | TLR8 (0.44) | — | |
| SCHEMBL19931439 | 0.61 | HPGD (0.38) | — | |
| SCHEMBL30173865 | 0.60 | L3MBTL1 (0.34) | — | |
| SCHEMBL11017065 | 0.58 | RAB9A (0.48) | — | |
| SCHEMBL23718261 | 0.58 | HRH3 (0.37) | — | |
| Water SCHEMBL28186491 | 0.58 | TLR8 (0.36) | — | |
| Water SCHEMBL28123349 | 0.58 | TYR (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170158709-A1 | BROMODOMAIN INHIBITORS | CELGENE QUANTICEL RES INC (US) | 2017-06-08 | — | — | US | disclosed |
| US-9598372-B2 | Bromodomain inhibitors | CELGENE QUANTICEL RESEARCH, INC. (US) | 2017-03-21 | — | — | US | disclosed |
| US-20160115134-A1 | BROMODOMAIN INHIBITORS | CELGENE QUANTICEL RESEARCH, INC. | 2016-04-28 | — | — | US | disclosed |
| US-9115114-B2 | Bromodomain inhibitors | Quanticel Pharmaceuticals, Inc. (US) | 2015-08-25 | — | — | US | disclosed |
| US-20150183784-A1 | BROMODOMAIN INHIBITORS | CELGENE QUANTICEL RESEARCH, INC. | 2015-07-02 | — | — | US | disclosed |
| US-9034900-B2 | Bromodomain inhibitors | Quanticel Pharmaceuticals, Inc. (US) | 2015-05-19 | — | — | US | disclosed |
| US-20150111885-A1 | BROMODOMAIN INHIBITORS | CELGENE QUANTICEL RESEARCH, INC. | 2015-04-23 | — | — | US | disclosed |