⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3169639 | 0.86 | ARG1 (0.32) | — | |
| SCHEMBL23837443 | 0.83 | KMT2A (0.35) | — | |
| SCHEMBL31513537 | 0.79 | APEX1 (0.55) | — | |
| SCHEMBL1463490 | 0.77 | — | — | |
| SCHEMBL177492 | 0.77 | — | — | |
| SCHEMBL10445709 | 0.74 | — | — | |
| SCHEMBL177490 | 0.74 | BLM (0.46) | — | |
| SCHEMBL19784971 | 0.74 | — | — | |
| SCHEMBL177593 | 0.74 | BLM (0.46) | — | |
| SCHEMBL1161635 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115806532-A | Preparation method of impurities in MIT | 大连百傲化学股份有限公司 | 2023-03-17 | — | — | CN | claimed |
| US-20230286968-A1 | ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2023-09-14 | — | — | US | disclosed |
| CN-115806532-A | Preparation method of impurities in MIT | 大连百傲化学股份有限公司 | 2023-03-17 | — | — | CN | disclosed |
| EP-3882252-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2021-09-22 | — | — | EP | disclosed |
| US-20080200527-A1 | Cannabinoid Receptor Modulators | CAREX SA (FR) | 2008-08-21 | — | — | US | disclosed |
| CN-1741996-A | Carboxamide derivatives and their use as factor XA inhibitors | MERCK PATENT GMBH (DE) | 2006-03-01 | — | — | CN | disclosed |