⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21322313 | 0.68 | PDCD1 (0.32) | — | |
| SCHEMBL8997519 | 0.67 | — | — | |
| SCHEMBL11437502 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL18934443 | 0.65 | — | — | |
| SCHEMBL6648129 | 0.65 | — | — | |
| Bromide SCHEMBL3574512 | 0.63 | — | — | |
| SCHEMBL21322304 | 0.62 | — | — | |
| SCHEMBL14026984 | 0.62 | — | — | |
| SCHEMBL22858811 | 0.59 | HTR1D (0.30) | — | |
| Hydrochloric Acid SCHEMBL11700839 | 0.59 | PTGIR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212155-A1 | PD-1/PD-L1 INHIBITORS | GILEAD SCIENCES, INC. | 2023-07-06 | — | — | US | disclosed |
| US-8188085-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2012-05-29 | — | — | US | disclosed |
| US-8110687-B2 | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-07 | — | — | US | disclosed |
| US-20100113439-A1 | Antifungal agents | MERCK & CO., INC. (US) | 2010-05-06 | — | — | US | disclosed |
| US-7652041-B2 | 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| US-20080064729-A1 | Phenethylamide derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-03-13 | — | — | US | disclosed |
| US-20070149533-A1 | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-28 | — | — | US | disclosed |