⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL71770 | 0.79 | — | — | |
| SCHEMBL71390 | 0.72 | — | — | |
| Water SCHEMBL20545911 | 0.70 | — | — | |
| Propionic Acid SCHEMBL28073066 | 0.68 | FFAR3 (0.42) | — | |
| SCHEMBL71769 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL2159347 | 0.62 | — | — | |
| SCHEMBL28647980 | 0.62 | CA4 (0.40) | — | |
| SCHEMBL27999685 | 0.62 | CA4 (0.36) | — | |
| SCHEMBL6192274 | 0.61 | — | — | |
| SCHEMBL3831922 | 0.61 | CA4 (0.43) | — |
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-1261636-A2 | HUMAN PROTEIN KINASES AND PROTEIN KINASE-LIKE ENZYMES | Sugen, Inc. (US) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001066594-A2 | HUMAN PROTEIN KINASES AND PROTEIN KINASE-LIKE ENZYMES | SUGEN, INC. (US) | 2001-09-13 | — | — | WO | disclosed |