⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5297604 | 0.97 | MAPT (0.30) | — | |
| SCHEMBL13190997 | 0.97 | MAPT (0.30) | — | |
| SCHEMBL9843391 | 0.92 | — | — | |
| SCHEMBL17103429 | 0.76 | — | — | |
| SCHEMBL11802353 | 0.74 | — | — | |
| SCHEMBL23505340 | 0.69 | MAPT (0.32) | — | |
| SCHEMBL7529686 | 0.69 | — | — | |
| SCHEMBL11280434 | 0.69 | — | — | |
| SCHEMBL201821 | 0.69 | — | — | |
| SCHEMBL14840982 | 0.69 | MAPT (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102911108-A | Preparation method of trans-perhydro-isoindazole and salt thereof | Ge changle | 2013-02-06 | — | — | CN | claimed |
| CN-102911108-A | Preparation method of trans-perhydro-isoindazole and salt thereof | Ge changle | 2013-02-06 | — | — | CN | disclosed |
| US-5002702-A | For polypropylene fibers or foils | SANDOZ LTD. (CH) | 1991-03-26 | — | — | US | disclosed |