⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7968919 | 0.89 | OPRD1 (0.50) | — | |
| SCHEMBL7970833 | 0.88 | — | — | |
| SCHEMBL7974988 | 0.87 | — | — | |
| SCHEMBL7957910 | 0.86 | — | — | |
| SCHEMBL7971679 | 0.84 | — | — | |
| SCHEMBL7968827 | 0.83 | — | — | |
| SCHEMBL7973648 | 0.82 | — | — | |
| SCHEMBL7971673 | 0.81 | — | — | |
| SCHEMBL7958089 | 0.81 | — | — | |
| SCHEMBL7971163 | 0.80 | OPRD1 (0.58) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6200978-B1 | FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS | PFIZER INC. | 2001-03-13 | — | — | US | disclosed |