⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31685960 | 0.73 | — | — | |
| SCHEMBL28302994 | 0.69 | — | — | |
| SCHEMBL17476751 | 0.66 | — | — | |
| SCHEMBL28669244 | 0.66 | — | — | |
| SCHEMBL26403779 | 0.63 | GABRR1 (0.31) | — | |
| SCHEMBL27617110 | 0.62 | ADORA3 (0.30) | — | |
| SCHEMBL14697360 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3831642 | 0.60 | — | — | |
| SCHEMBL1227405 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL23229950 | 0.57 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9321731-B2 | Substituted hydroxamic acids and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-04-26 | — | — | US | claimed |
| US-20160031820-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. | 2016-02-04 | — | — | US | claimed |
| EP-2268643-A1 | DIOXOLANE AND DIOXOLANONE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009120890-A1 | DIOXOLANE AND DIOXOLANONE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-01 | — | — | WO | disclosed |
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |