⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108375 | 0.82 | — | — | |
| SCHEMBL6474897 | 0.82 | — | — | |
| SCHEMBL2882744 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28229082 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2824186 | 0.73 | — | — | |
| Bromide SCHEMBL23306700 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL23354040 | 0.73 | — | — | |
| SCHEMBL22972019 | 0.73 | — | — | |
| SCHEMBL337741 | 0.71 | ALDH1A1 (0.53) | — | |
| Propionic Acid SCHEMBL8605319 | 0.69 | FFAR3 (0.71) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9550793-B2 | Spirocyclic compounds, compositions and medicinal applications thereof | ADVINUS THERAPEUTICS LIMITED (IN) | 2017-01-24 | — | — | US | disclosed |
| US-20150218187-A1 | SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | IMPETIS BIOSCIENCES LTD. (IN) | 2015-08-06 | — | — | US | disclosed |
| US-8742167-B2 | Therapeutic formulations based on asiatic acid and selected salts thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2014-06-03 | — | — | US | disclosed |
| US-20100331413-A1 | Therapeutic Formulations Based on Asiatic Acid and Selected Salts Thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2010-12-30 | — | — | US | disclosed |