⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31566277 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL6884097 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL9347043 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL287744 | 0.82 | — | — | |
| SCHEMBL16808759 | 0.82 | — | — | |
| SCHEMBL19970453 | 0.82 | ALDH1A1 (0.60) | — | |
| SCHEMBL22247 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL28007190 | 0.79 | — | — | |
| SCHEMBL989839 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL5839297 | 0.78 | ALDH1A1 (0.56) | — |
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-20160311970-A1 | INSERTION POLYNORBORNENE-BASED THERMOSET RESINS | CLAVERIE, Jérôme (CA) | 2016-10-27 | — | — | US | disclosed |
| US-7763729-B2 | Bicyclic heteroaromatic derivatives | UCB PHARMA S.A. (BE) | 2010-07-27 | — | — | US | disclosed |
| US-20090042877-A1 | Bicyclic Heteroaromatic Derivatives | CELLTECH R&D LIMITED (GB) | 2009-02-12 | — | — | US | disclosed |
| US-7423047-B2 | Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors | CELLTECH R&D LIMITED (GB) | 2008-09-09 | — | — | US | disclosed |
| US-20060004025-A1 | Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors | UCB PHARMA S.A. (BE) | 2006-01-05 | — | — | US | disclosed |
| EP-1551848-A1 | ARYLAMINE SUBSTUTUTED BICYCLIC HETEROAROMATIC COMPOUNDS AS P38 KINASE INHIBITORS | Celltech R & D Limited (GB) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004000846-A1 | ARYLAMINE SUBSTUTUTED BICYCLIC HETEROAROMATIC COMPOUNDS AS P38 KINASE INHIBITORS | CELLTECH R & D LIMITED (GB) | 2003-12-31 | — | — | WO | disclosed |
| EP-0700392-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027977-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-12-08 | — | — | WO | disclosed |
| US-4885291-A | 1-carba(dethia)-3-cephem derivatives | ELI LILLY AND COMPANY (US) | 1989-12-05 | — | — | US | disclosed |
| EP-0324562-A1 | 1-Carba(dethia)-3-cephem derivatives | ELI LILLY AND COMPANY (US) | 1989-07-19 | — | — | EP | disclosed |