⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28297160 | 0.86 | CHRM2 (0.44) | — | |
| SCHEMBL7129637 | 0.80 | — | — | |
| SCHEMBL2064703 | 0.79 | — | — | |
| SCHEMBL315580 | 0.79 | — | — | |
| SCHEMBL11211521 | 0.78 | ALDH1A1 (0.57) | — | |
| SCHEMBL11709196 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL8973655 | 0.76 | — | — | |
| SCHEMBL28126335 | 0.76 | — | — | |
| SCHEMBL4720749 | 0.76 | — | — | |
| SCHEMBL10305028 | 0.76 | — | — |
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-2023194840-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN COVID-19 | UNICHEM LABORATORIES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023194841-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN ULCERATIVE COLITIS | UNICHEM LABORATORIES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023194842-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN RHEUMATOID ARTHRITIS | UNICHEM LABORATORIES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |
| CN-112010826-A | Stereoselective synthesis of perhydro-3, 6-dialkyl-2-benzo [ B ] furanones | 国际香料和香精公司 | 2020-12-01 | — | — | CN | disclosed |
| US-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | disclosed |