⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2076983 | 1.00 | — | — | |
| SCHEMBL3399798 | 1.00 | — | — | |
| SCHEMBL7148017 | 0.86 | CES1 (0.44) | — | |
| SCHEMBL7148023 | 0.86 | CES1 (0.44) | — | |
| SCHEMBL7148020 | 0.86 | CES1 (0.44) | — | |
| SCHEMBL8325849 | 0.84 | AKR1B1 (0.50) | — | |
| SCHEMBL4676432 | 0.82 | — | — | |
| SCHEMBL4676440 | 0.82 | — | — | |
| SCHEMBL4676437 | 0.82 | — | — | |
| SCHEMBL3403766 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-8486965-B2 | Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-16 | — | — | US | disclosed |
| US-8217176-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110172255-A1 | Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists | SB PHARMCO PUERTO RICO INC | 2011-07-14 | — | — | US | disclosed |
| EP-2247588-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-11-10 | — | — | EP | disclosed |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | US | disclosed |
| WO-2009107850-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-03 | — | — | WO | disclosed |
| US-7427630-B2 | Condensed N-heterocyclic compounds and their use as CRF receptor antagonists | SB PHARMACO PUERTO RICO INC. (US) | 2008-09-23 | — | — | US | disclosed |
| US-20070004708-A1 | Condensed n-heterocyclic compounds and their use as crf receptor antagonists | NEUROCRINE BIOSCIENCES, INC. | 2007-01-04 | — | — | US | disclosed |
| US-6642222-B2 | Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions | ABBOTT LABORATORIES | 2003-11-04 | — | — | US | disclosed |
| US-20030055035-A1 | Pyrano piperidino and thiopyrano compounds and methods of use | ABBOTT LABORATORIES | 2003-03-20 | — | — | US | disclosed |