⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12343974 | 0.79 | TP53 (0.46) | — | |
| SCHEMBL8388694 | 0.76 | — | — | |
| SCHEMBL22905215 | 0.76 | ALOX5 (0.33) | — | |
| SCHEMBL3765666 | 0.74 | KMT2A (0.48) | — | |
| SCHEMBL17790247 | 0.71 | ROCK2 (0.30) | — | |
| SCHEMBL15025234 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL12701583 | 0.70 | HRH3 (0.55) | — | |
| SCHEMBL21085353 | 0.70 | ALOX5 (0.31) | — | |
| SCHEMBL762438 | 0.67 | — | — | |
| SCHEMBL18901152 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024026500-A2 | INHIBITORS OF PDE11A4 AND METHODS OF USING SAME | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2024-02-01 | — | — | WO | disclosed |
| WO-2020249785-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-12-17 | — | — | WO | disclosed |
| WO-2020150417-A2 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | IFM DUE, INC. (US) | 2020-07-23 | — | — | WO | disclosed |
| WO-2017193030-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | CALICO LIFE SCIENCES (US) | 2017-11-09 | — | — | WO | disclosed |
| US-20160194284-A1 | ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR | NORTHEASTERN UNIVERSITY (US) | 2016-07-07 | — | — | US | disclosed |