⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12413534 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL12413535 | 0.70 | GSK3B (0.36) | — | |
| SCHEMBL12413592 | 0.69 | CHEK1 (0.32) | — | |
| SCHEMBL18517073 | 0.68 | TDP1 (0.33) | — | |
| SCHEMBL9677675 | 0.65 | — | — | |
| SCHEMBL12552539 | 0.60 | CASP3 (0.37) | — | |
| SCHEMBL12534610 | 0.60 | USP2 (0.33) | — | |
| SCHEMBL12413543 | 0.59 | GDA (0.34) | — | |
| SCHEMBL12260197 | 0.58 | TDP1 (0.49) | — | |
| SCHEMBL15468974 | 0.58 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765757-B2 | 3-heterocyclic substituted indole derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-20110165118-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2011-07-07 | — | — | US | disclosed |