⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16738412 | 1.00 | — | — | |
| SCHEMBL20958614 | 1.00 | — | — | |
| SCHEMBL443387 | 0.88 | — | — | |
| SCHEMBL443388 | 0.88 | — | — | |
| SCHEMBL342441 | 0.83 | — | — | |
| SCHEMBL342440 | 0.83 | — | — | |
| SCHEMBL14673484 | 0.80 | — | — | |
| SCHEMBL1190091 | 0.78 | — | — | |
| SCHEMBL4232398 | 0.78 | — | — | |
| SCHEMBL9015318 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421853-A1 | SYNTHESIS OF 3-{[(2R)-1-METHYLPYRROLIDIN-2-YL]METHYL}-5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE | F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) | 2012-02-29 | — | — | EP | disclosed |
| US-20110166364-A1 | SYNTHESIS OF 3--5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE | F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2011-07-07 | — | — | US | disclosed |