⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL196711 | 0.92 | — | — | |
| SCHEMBL10640995 | 0.89 | CYP19A1 (0.31) | — | |
| SCHEMBL197983 | 0.89 | CYP19A1 (0.31) | — | |
| SCHEMBL11591113 | 0.89 | CYP19A1 (0.31) | — | |
| SCHEMBL11682784 | 0.86 | — | — | |
| SCHEMBL11666373 | 0.84 | — | — | |
| SCHEMBL6026856 | 0.74 | — | — | |
| SCHEMBL7802507 | 0.72 | — | — | |
| SCHEMBL6176824 | 0.72 | — | — | |
| SCHEMBL6179276 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106336061-B | Treatment method of high-concentration wastewater from cracking PO byproduct TBA to prepare isobutene | 万华化学集团股份有限公司 | 2020-01-31 | — | — | CN | claimed |
| EP-2952503-B1 | CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2019-10-23 | — | — | EP | disclosed |
| US-20180362543-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2018-12-20 | — | — | US | disclosed |
| US-20150361093-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2015-12-17 | — | — | US | disclosed |
| EP-2952503-A1 | HIV REPLICATION INHIBITOR | Shionogi & Co., Ltd. (JP) | 2015-12-09 | — | — | EP | disclosed |
| EP-0613485-B1 | THERMOPLASTIC FLUOROCOPOLYMERS, AND METHOD OF PREPARING FLUOROMONOMER FOR USE IN THE MANUFACTURE OF THE FLUOROCOPOLYMER | BAYER AG (DE) | 1998-03-25 | — | — | EP | disclosed |
| US-5594154-A | 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| US-5426165-A | Heat resistance, dimensional stability | BAYER AKTIENGESELLSCHAFT (DE) | 1995-06-20 | — | — | US | disclosed |
| EP-0613485-A1 | THERMOPLASTIC FLUOROCOPOLYMERS, AND METHOD OF PREPARING FLUOROMONOMER FOR USE IN THE MANUFACTURE OF THE FLUOROCOPOLYMER | BAYER AG (DE) | 1994-09-07 | — | — | EP | disclosed |
| WO-1993010160-A1 | NEW THERMOPLASTIC FLUOROCOPOLYMERS, AND FLUOROMONOMERS FOR USE IN THEIR MANUFACTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1993-05-27 | — | — | WO | disclosed |