⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19255980 | 0.74 | — | — | |
| SCHEMBL7005459 | 0.66 | — | — | |
| SCHEMBL12320830 | 0.64 | RAB9A (0.33) | — | |
| SCHEMBL14854170 | 0.64 | — | — | |
| SCHEMBL18409358 | 0.62 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19790064 | 0.62 | — | — | |
| SCHEMBL7010771 | 0.60 | — | — | |
| SCHEMBL17687860 | 0.60 | ALDH1A1 (0.34) | — | |
| SCHEMBL14854224 | 0.59 | — | — | |
| SCHEMBL23817037 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2578590-B1 | ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | KOREA INST SCI & TECH (KR) | 2017-08-16 | — | — | EP | disclosed |
| US-20150307458-A1 | Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia | H. LUNDBECK A/S (DK) | 2015-10-29 | — | — | US | disclosed |