⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17432 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2076896 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28235189 | 0.95 | — | — | |
| Bromide SCHEMBL4240042 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL18044 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL2239040 | 0.93 | CYP1A2 (0.54) | — | |
| Hypochlorous Acid SCHEMBL7837490 | 0.93 | CYP1A2 (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL28235191 | 0.93 | CHRNB2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL17284874 | 0.87 | CYP1A2 (0.48) | — | |
| Acetonitrile SCHEMBL28026103 | 0.86 | CHRNB2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108698992-B | 2-cyanoisoindoline derivatives for the treatment of cancer | 特殊治疗有限公司 | 2022-04-19 | — | — | CN | disclosed |
| US-10077289-B2 | Cyclosporins modified on the MeBmt sidechain by heterocyclic rings | ALLERGAN, INC. (US) | 2018-09-18 | — | — | US | disclosed |
| EP-3277704-A1 | CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS | ALLERGAN, INC. (US) | 2018-02-07 | — | — | EP | disclosed |
| WO-2016160362-A1 | CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS | ALLERGAN, INC. (US) | 2016-10-06 | — | — | WO | disclosed |
| US-20160289271-A1 | Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings | ALLERGAN, INC. | 2016-10-06 | — | — | US | disclosed |