⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14647522 | 0.83 | — | — | |
| SCHEMBL15203074 | 0.81 | — | — | |
| SCHEMBL14375478 | 0.79 | — | — | |
| SCHEMBL15783005 | 0.79 | CYP2C19 (0.42) | — | |
| SCHEMBL15958733 | 0.77 | EPHX1 (0.48) | — | |
| SCHEMBL17399221 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL4886500 | 0.72 | ADH1B (0.33) | — | |
| SCHEMBL15782750 | 0.71 | CYP2C19 (0.46) | — | |
| SCHEMBL17399225 | 0.71 | — | — | |
| SCHEMBL17705678 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488178-B1 | COMBINATIONS OF A PI3K INHIBITOR AND A MEK INHIBITOR | HOFFMANN LA ROCHE (CH) | 2016-11-16 | — | — | EP | disclosed |
| EP-2766370-B1 | COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE | HOFFMANN LA ROCHE (CH) | 2016-08-03 | — | — | EP | disclosed |
| EP-2833966-B1 | TETHERED IMPLANTABLE MEDICAL DEVICE DEPLOYMENT | MEDTRONIC INC (US) | 2016-05-18 | — | — | EP | disclosed |
| US-20160102297-A1 | RESTRICTIVE INVERTED TERMINAL REPEATS FOR VIRAL VECTORS | UNIV NORTH CAROLINA (US) | 2016-04-14 | — | — | US | disclosed |
| EP-2124951-B1 | 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2014-05-21 | — | — | EP | disclosed |
| WO-2013033268-A2 | BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |