⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL496774 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5066620 | 0.94 | — | — | |
| Acetic Acid SCHEMBL5063762 | 0.87 | ALDH1A1 (0.37) | — | |
| SCHEMBL10324781 | 0.84 | APP (0.44) | — | |
| SCHEMBL24983142 | 0.82 | CA2 (0.44) | — | |
| SCHEMBL932722 | 0.82 | CA2 (0.44) | — | |
| SCHEMBL16941472 | 0.82 | CA2 (0.44) | — | |
| SCHEMBL3177040 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL5063686 | 0.79 | APP (0.44) | — | |
| SCHEMBL864101 | 0.79 | APP (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-54106562-A | — | — | None | — | — | JP | disclosed |
| US-20240131012-A1 | RAPAMYCIN ANALOGS AND USES THEREOF | JANSSEN PHARMACEUTICA NV (BE) | 2024-04-25 | — | — | US | disclosed |
| CN-115209897-A | Rapamycin analogs and uses thereof | 安纳库利亚治疗公司 | 2022-10-18 | — | — | CN | disclosed |
| US-8354539-B2 | Indole derivatives as IKK2 inhibitors | GLAXO GROUP LIMITED (GB) | 2013-01-15 | — | — | US | disclosed |
| EP-2406249-A1 | INDOLE DERIVATIVES AS IKK2 INHIBITORS | Glaxo Group Limited (GB) | 2012-01-18 | — | — | EP | disclosed |
| US-20120010244-A1 | INDOLE DERIVATIVES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2012-01-12 | — | — | US | disclosed |
| EP-2373653-A1 | PYRROLOPYRAZINYL UREA KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-10-12 | — | — | EP | disclosed |
| US-8012974-B2 | Pyrrolopyrazinyl urea kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-09-06 | — | — | US | disclosed |
| WO-2010102968-A1 | INDOLE DERIVATIVES AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |
| WO-2010063634-A1 | PYRROLOPYRAZINYL UREA KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-10 | — | — | WO | disclosed |
| US-20100144745-A1 | Pyrrolopyrazinyl Urea Kinase Inhibitors | ROCHE PALO ALTO LLC | 2010-06-10 | — | — | US | disclosed |
| JP-S54106562-A | FLAME-RETARDANT RESIN COMPOSITION | TEIJIN CHEM LTD | 1979-08-21 | — | — | JP | disclosed |