⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13665710 | 1.00 | — | — | |
| SCHEMBL3012906 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5661898 | 0.98 | CHRNB2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL4435602 | 0.98 | CHRNB2 (0.43) | — | |
| SCHEMBL492384 | 0.86 | — | — | |
| SCHEMBL2902167 | 0.86 | — | — | |
| SCHEMBL91528 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8936724 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL3947086 | 0.84 | — | — | |
| SCHEMBL3008190 | 0.83 | CHRNB2 (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021133750-A1 | SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-01 | — | — | WO | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-8129366-B2 | VLA-4 inhibitory drug | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |
| WO-2007126362-A1 | COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | WO | disclosed |
| US-20070259888-A1 | Novel Compounds | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |
| US-20070259888-A1 | Novel Compounds | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |