⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7607873 | 0.82 | TDP1 (0.41) | — | |
| SCHEMBL13960238 | 0.78 | — | — | |
| SCHEMBL13176640 | 0.78 | — | — | |
| SCHEMBL10070998 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL8357649 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL12508616 | 0.69 | SLC6A2 (0.31) | — | |
| SCHEMBL10258351 | 0.69 | CYP3A4 (0.42) | — | |
| SCHEMBL3701804 | 0.68 | HDAC1 (0.37) | — | |
| SCHEMBL12648436 | 0.67 | NOS3 (0.44) | — | |
| SCHEMBL10070523 | 0.65 | ACHE (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009088531-A1 | 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2009-07-16 | — | — | WO | disclosed |
| WO-2008089015-A1 | 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| US-20080171772-A1 | e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis | ALLERGAN, INC. | 2008-07-17 | — | — | US | disclosed |