⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1762776 | 0.87 | C5AR1 (0.31) | — | |
| SCHEMBL1762703 | 0.84 | GABRP (0.32) | — | |
| SCHEMBL1762871 | 0.81 | NR4A2 (0.37) | — | |
| SCHEMBL1762538 | 0.79 | ICMT (0.32) | — | |
| SCHEMBL1763188 | 0.79 | TYRO3 (0.37) | — | |
| SCHEMBL1762996 | 0.79 | NPC1 (0.38) | — | |
| SCHEMBL1762870 | 0.78 | FABP3 (0.38) | — | |
| SCHEMBL1762660 | 0.78 | PDE4A (0.36) | — | |
| SCHEMBL1762669 | 0.78 | SLC2A1 (0.35) | — | |
| SCHEMBL1762565 | 0.77 | P2RY12 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8633193-B2 | Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds | NOVARTIS AG (CH) | 2014-01-21 | — | — | US | disclosed |
| US-20110118273-A1 | PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2011-05-19 | — | — | US | disclosed |
| US-7906528-B2 | Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2011-03-15 | — | — | US | disclosed |
| US-20080267887-A1 | Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds | NEUROGEN CORPORATION (US) | 2008-10-30 | — | — | US | disclosed |