⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21232371 | 0.81 | — | — | |
| SCHEMBL24780016 | 0.81 | — | — | |
| SCHEMBL22507911 | 0.81 | — | — | |
| SCHEMBL13297841 | 0.76 | — | — | |
| SCHEMBL23339218 | 0.76 | — | — | |
| SCHEMBL23715741 | 0.75 | — | — | |
| SCHEMBL8266965 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL960800 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL960799 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL5961378 | 0.71 | CYP1A2 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021108683-A1 | COVALENT RAS INHIBITORS AND USES THEREOF | Revolution Medicines, Inc. (US) | 2021-06-03 | — | — | WO | disclosed |
| US-20170144934-A1 | METHOD OF MANUFACTURING A SULFIDE-BASED CERAMIC ELEMENT, PARTICULARLY FOR IR-OPTICS APPLICATIONS | UNIVERSITE DE RENNES (FR) | 2017-05-25 | — | — | US | disclosed |
| EP-1401829-B1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX INC (US) | 2012-08-22 | — | — | EP | disclosed |