⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11629775 | 0.71 | — | — | |
| SCHEMBL869551 | 0.63 | — | — | |
| SCHEMBL3524226 | 0.62 | — | — | |
| SCHEMBL2405993 | 0.62 | — | — | |
| SCHEMBL19328568 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL5089741 | 0.61 | — | — | |
| SCHEMBL11134523 | 0.58 | GSK3A (0.41) | — | |
| SCHEMBL11647360 | 0.58 | DHFR (0.31) | — | |
| SCHEMBL988643 | 0.57 | — | — | |
| SCHEMBL18032691 | 0.57 | GSK3A (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9573887-B2 | Naphthalene derivative | DAITO CHEMIX CORPORATION (JP) | 2017-02-21 | — | — | US | claimed |
| WO-2009090548-A2 | 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-07-23 | — | — | WO | claimed |
| US-8906928-B2 | Substituted pyrazolo-pyrrolo-pyridine-dione compounds | ARQULE, INC. (US) | 2014-12-09 | — | — | US | disclosed |
| EP-2414357-A1 | PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ArQule, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114904-A1 | PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ARQULE, INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| US-20100249120-A1 | SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS | ARQULE, INC. (US) | 2010-09-30 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| WO-2009090548-A2 | 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-07-23 | — | — | WO | disclosed |
| US-20060229336-A1 | Ccr5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORPORATION | 2006-10-12 | — | — | US | disclosed |
| EP-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |