⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1100278 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1821666 | 0.97 | — | — | |
| Formic Acid SCHEMBL31326327 | 0.84 | ADH1B (0.38) | — | |
| SCHEMBL22699876 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL27254821 | 0.83 | METAP1 (0.32) | — | |
| SCHEMBL12734622 | 0.81 | — | — | |
| SCHEMBL12227632 | 0.81 | — | — | |
| SCHEMBL1687784 | 0.81 | — | — | |
| SCHEMBL14444137 | 0.79 | — | — | |
| SCHEMBL7049293 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2658870-B1 | CONJUGATED ANTI-CD38 ANTIBODIES | TAKEDA PHARMACEUTICALS CO (JP) | 2018-04-25 | — | — | EP | disclosed |
| WO-2017047992-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2017-03-23 | — | — | WO | disclosed |
| WO-2017047993-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME | 주식회사 엘지화학 | 2017-03-23 | — | — | WO | disclosed |
| WO-2016105448-A1 | IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS | RIDEOUT DARRYL (US) | 2016-06-30 | — | — | WO | disclosed |
| US-20140135270-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | BRISTOL-MYERS SQUIBB COMPANY | 2014-05-15 | — | — | US | disclosed |
| US-8202879-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2012-06-19 | — | — | US | disclosed |
| US-20090143414-A1 | Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity | SHIONOGI & CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |