⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19902042 | 0.84 | — | — | |
| SCHEMBL11980489 | 0.78 | HTR5A (0.42) | — | |
| SCHEMBL8236549 | 0.75 | — | — | |
| SCHEMBL442261 | 0.75 | — | — | |
| SCHEMBL4762435 | 0.75 | — | — | |
| SCHEMBL3424539 | 0.75 | — | — | |
| SCHEMBL27676352 | 0.75 | ERN1 (0.34) | — | |
| SCHEMBL16050263 | 0.75 | HSD17B10 (0.42) | — | |
| SCHEMBL2335954 | 0.74 | MAPT (0.50) | — | |
| SCHEMBL19852069 | 0.72 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116748-A1 | SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF | 广东东阳光药业有限公司 | 2023-06-29 | — | — | WO | disclosed |
| CN-106458912-A | Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics | 辉瑞公司 | 2017-02-22 | — | — | CN | disclosed |
| US-7115754-B2 | Pyrrolidine derivatives as oxytocin antagonists | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2006-10-03 | — | — | US | disclosed |
| US-20060004020-A1 | Pyrrolidine derivatives as oxytocin antagonists | MERCK SERONO SA (CH) | 2006-01-05 | — | — | US | disclosed |
| EP-0132811-B1 | 1-SUBSTITUTED 4-HYDROXYMETHYL-PYRROLIDINONES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND INTERMEDIATE | BOEHRINGER INGELHEIM KG (DE) | 1988-09-28 | — | — | EP | disclosed |
| EP-0132811-A1 | 1-Substituted 4-hydroxymethyl-pyrrolidinones, processes for their preparation, pharmaceutical composition and intermediate | BOEHRINGER INGELHEIM KG (DE) | 1985-02-13 | — | — | EP | disclosed |