⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12928634 | 0.92 | TYMP (0.34) | — | |
| SCHEMBL604266 | 0.85 | TYMP (0.40) | — | |
| SCHEMBL15048839 | 0.85 | TYMP (0.40) | — | |
| SCHEMBL296554 | 0.81 | TYMP (0.42) | — | |
| SCHEMBL3233362 | 0.79 | TYMP (0.41) | — | |
| SCHEMBL2105114 | 0.79 | TYMP (0.41) | — | |
| SCHEMBL11201526 | 0.79 | TYMP (0.41) | — | |
| SCHEMBL3502363 | 0.79 | TYMP (0.41) | — | |
| SCHEMBL21057468 | 0.79 | TYMP (0.41) | — | |
| SCHEMBL18244171 | 0.79 | TYMP (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4389742-A1 | BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE | Xizang Haisco Pharmaceutical Co., Ltd. (CN) | 2024-06-26 | — | — | EP | disclosed |
| EP-3674289-B1 | LONG-ACTING RASAGILINE PRODRUG, PREPARATION METHOD AND USE THEREOF | GUANGZHOU HENOVCOM BIOSCIENCE CO LTD (CN) | 2023-10-11 | — | — | EP | disclosed |
| US-20190036043-A1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-01-31 | — | — | US | disclosed |
| US-4602093-A | ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1986-07-22 | — | — | US | disclosed |