⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3752953 | 0.79 | DUT (0.34) | — | |
| SCHEMBL1143327 | 0.79 | CYP4F2 (0.46) | — | |
| SCHEMBL12900784 | 0.77 | FAAH (0.36) | — | |
| SCHEMBL12866400 | 0.76 | APOBEC3A (0.31) | — | |
| SCHEMBL2880342 | 0.74 | DUT (0.35) | — | |
| SCHEMBL1143145 | 0.74 | MAPT (0.34) | — | |
| SCHEMBL16668890 | 0.73 | DGKA (0.44) | — | |
| SCHEMBL1142842 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL2139741 | 0.71 | CYP4F2 (0.59) | — | |
| SCHEMBL30724478 | 0.71 | CYP4F2 (0.59) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459560-B1 | RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES | MERCK SHARP & DOHME (NL) | 2015-08-19 | — | — | EP | disclosed |
| EP-2459560-B1 | RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES | MERCK SHARP & DOHME (NL) | 2015-08-19 | — | — | EP | disclosed |
| US-8431564-B2 | Ring-annulated dihydropyrrolo[2,1-α]isoquinolines | MERCK SHARP & DOHME B.V. (NL) | 2013-04-30 | — | — | US | disclosed |
| US-8431564-B2 | Ring-annulated dihydropyrrolo[2,1-α]isoquinolines | MERCK SHARP & DOHME B.V. (NL) | 2013-04-30 | — | — | US | disclosed |
| US-8431564-B2 | Ring-annulated dihydropyrrolo[2,1-α]isoquinolines | MERCK SHARP & DOHME B.V. (NL) | 2013-04-30 | — | — | US | disclosed |
| EP-2459560-A1 | RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES | MSD Oss B.V. (NL) | 2012-06-06 | — | — | EP | disclosed |
| US-20110028450-A1 | Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines | N.V. ORGANON (NL) | 2011-02-03 | — | — | US | disclosed |
| US-20110028450-A1 | Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines | N.V. ORGANON (NL) | 2011-02-03 | — | — | US | disclosed |
| WO-2011012600-A1 | RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES | N.V. ORGANON (NL) | 2011-02-03 | — | — | WO | disclosed |