⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1822153 | 0.67 | — | — | |
| SCHEMBL16400692 | 0.67 | — | — | |
| SCHEMBL874834 | 0.67 | — | — | |
| SCHEMBL19209088 | 0.62 | — | — | |
| SCHEMBL15543279 | 0.61 | — | — | |
| SCHEMBL14421242 | 0.57 | — | — | |
| SCHEMBL1755398 | 0.57 | — | — | |
| SCHEMBL8040420 | 0.55 | — | — | |
| SCHEMBL8036160 | 0.55 | — | — | |
| SCHEMBL3657593 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9255090-B2 | Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-02-09 | — | — | US | disclosed |
| US-20150252036-A1 | Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators | IDORSIA PHARMACEUTICALS LTD (CH) | 2015-09-10 | — | — | US | disclosed |
| WO-2012076413-A1 | COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES | SIENA BIOTECH S.P.A. (IT) | 2012-06-14 | — | — | WO | disclosed |