⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12674147 | 0.79 | S1PR4 (0.36) | — | |
| SCHEMBL4550233 | 0.78 | — | — | |
| SCHEMBL22302066 | 0.78 | — | — | |
| SCHEMBL15698394 | 0.78 | — | — | |
| SCHEMBL26620432 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL17918968 | 0.76 | — | — | |
| SCHEMBL34433642 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL10586015 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL4473520 | 0.76 | MAOB (0.44) | — | |
| SCHEMBL16978992 | 0.75 | — | — |
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-2024141757-A1 | LSD1 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-07-04 | — | — | WO | disclosed |
| US-11912708-B2 | Macrocyclic heterocycles and uses thereof | KUMQUAT BIOSCIENCES INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20230339902-A1 | TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 | C4 THERAPEUTICS, INC. (US) | 2023-10-26 | — | — | US | disclosed |
| US-20230339902-A1 | TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 | C4 THERAPEUTICS, INC. (US) | 2023-10-26 | — | — | US | disclosed |
| US-20170166577-A1 | APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF | RESEARCH TRIANGLE INSTITUTE | 2017-06-15 | — | — | US | disclosed |