⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7487969 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL18508334 | 0.79 | — | — | |
| SCHEMBL90517 | 0.79 | — | — | |
| SCHEMBL24065045 | 0.78 | — | — | |
| SCHEMBL27368572 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL10013147 | 0.78 | — | — | |
| SCHEMBL729827 | 0.78 | — | — | |
| SCHEMBL4400004 | 0.77 | — | — | |
| SCHEMBL25129792 | 0.75 | — | — | |
| SCHEMBL20080406 | 0.73 | KISS1R (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9193716-B2 | S1P receptors modulators and their use thereof | AKAAL PHARMA PTY LTD. (AU) | 2015-11-24 | — | — | US | disclosed |
| US-9181182-B2 | S1P receptors modulators | AKAAL PHARMA PTY LTD (AU) | 2015-11-10 | — | — | US | disclosed |
| WO-2014037313-A1 | USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-03-13 | — | — | WO | disclosed |
| US-20140066427-A1 | S1P Receptors Modulators and Their Use Thereof | AKAAL PHARMA PTY LTD. (AU) | 2014-03-06 | — | — | US | disclosed |