⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17835258 | 1.00 | — | — | |
| SCHEMBL14474737 | 1.00 | — | — | |
| SCHEMBL2163319 | 1.00 | — | — | |
| SCHEMBL17835257 | 1.00 | — | — | |
| SCHEMBL13392845 | 1.00 | — | — | |
| SCHEMBL8736364 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27683920 | 0.98 | CNR2 (0.35) | — | |
| SCHEMBL4840204 | 0.95 | TSHR (0.43) | — | |
| SCHEMBL4840420 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL16900558 | 0.92 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0885318-A1 | FLASH SPINNING PROCESS AND PRODUCTS | E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) | 1998-12-23 | — | — | EP | claimed |
| WO-1997033021-A1 | FLASH SPINNING PROCESS AND PRODUCTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-09-12 | — | — | WO | claimed |
| US-20230024302-A1 | 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS | ARCUS BIOSCIENCES, INC. | 2023-01-26 | — | — | US | disclosed |
| WO-2020147798-A1 | CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR | 明慧医药（上海）有限公司 | 2020-07-23 | — | — | WO | disclosed |
| WO-2016100281-A1 | INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-06-23 | — | — | WO | disclosed |