⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2955465 | 0.97 | LPAR2 (0.38) | — | |
| SCHEMBL4448550 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL7181609 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL9085008 | 0.82 | LPAR3 (0.34) | — | |
| SCHEMBL2389136 | 0.80 | — | — | |
| SCHEMBL8705724 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL11203071 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL9186856 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL19259382 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8440343 | 0.77 | ALDH1A1 (0.35) | — |
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-2014037381-A1 | METHOD FOR TREATING PRURITUS | EURO-CELTIQUE S.A. (LU) | 2014-03-13 | — | — | WO | disclosed |
| EP-2225246-A1 | BENZOMORPHAN COMPOUNDS | Purdue Pharma LP (US) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009068989-A1 | BENZOMORPHAN COMPOUNDS | PURDUE PHARMA L.P. (DE) | 2009-06-04 | — | — | WO | disclosed |
| US-5880146-A | INTERLEUKINS AND IMMUNOLOGY FOR AUTOIMMUNE DISEASES | FUJI IMMUNOPHARMACEUTICALS CORPORATION (US) | 1999-03-09 | — | — | US | disclosed |
| EP-0170624-B1 | 2,4,6-TRIFUNCTIONALIZED PHENOLS | CIBA-GEIGY AG (CH) | 1988-01-07 | — | — | EP | disclosed |