⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8265773 | 1.00 | — | — | |
| SCHEMBL8297090 | 0.79 | — | — | |
| SCHEMBL12812101 | 0.75 | — | — | |
| SCHEMBL8265755 | 0.75 | — | — | |
| SCHEMBL25056799 | 0.73 | — | — | |
| SCHEMBL17011612 | 0.73 | — | — | |
| SCHEMBL15128598 | 0.73 | — | — | |
| SCHEMBL12582193 | 0.72 | — | — | |
| SCHEMBL12462736 | 0.72 | — | — | |
| SCHEMBL20384889 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2215092-B1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-01-25 | — | — | EP | disclosed |
| US-7566734-B2 | Imidazolyl derivatives | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) | 2009-07-28 | — | — | US | disclosed |