⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67711 | 0.78 | — | — | |
| SCHEMBL9472575 | 0.78 | — | — | |
| SCHEMBL312465 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27634057 | 0.71 | — | — | |
| SCHEMBL10711146 | 0.68 | — | — | |
| Piperazine SCHEMBL27718655 | 0.68 | SLC18A3 (0.31) | — | |
| SCHEMBL12488069 | 0.64 | — | — | |
| SCHEMBL27526976 | 0.63 | MAPT (0.30) | — | |
| SCHEMBL9280245 | 0.62 | — | — | |
| SCHEMBL8831837 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8394789-B2 | (Dihydro)pyrrolo[2,1-α]isoquinolines | MSD OSS B.V. (NL) | 2013-03-12 | — | — | US | disclosed |
| EP-2252611-B1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | ORGANON NV (NL) | 2011-10-05 | — | — | EP | disclosed |
| US-20110039832-A1 | DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. ORGANON (NL) | 2011-02-17 | — | — | US | disclosed |
| EP-2252611-A1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. Organon (NL) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009098283-A1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. ORGANON (NL) | 2009-08-13 | — | — | WO | disclosed |