⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10402043 | 0.87 | CALM1 (0.35) | — | |
| SCHEMBL3225896 | 0.80 | — | — | |
| SCHEMBL3230668 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL8060293 | 0.72 | MAPT (0.31) | — | |
| SCHEMBL1043941 | 0.72 | TDP1 (0.40) | — | |
| SCHEMBL23364915 | 0.72 | ESR1 (0.30) | — | |
| SCHEMBL4625996 | 0.72 | ESR1 (0.30) | — | |
| SCHEMBL23364934 | 0.72 | ESR1 (0.30) | — | |
| SCHEMBL23364946 | 0.72 | ESR1 (0.30) | — | |
| SCHEMBL4193671 | 0.72 | IDO1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008063134-A1 | METHOD OF PRODUCING A PATTERN OF DISCRIMINATIVE WETTABILITY | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-05-29 | — | — | WO | disclosed |