⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6685755 | 1.00 | — | — | |
| SCHEMBL8007157 | 1.00 | — | — | |
| SCHEMBL3067982 | 0.69 | — | — | |
| SCHEMBL168239 | 0.69 | — | — | |
| SCHEMBL13662684 | 0.69 | — | — | |
| SCHEMBL7975310 | 0.69 | — | — | |
| SCHEMBL21199994 | 0.67 | — | — | |
| SCHEMBL12151215 | 0.67 | — | — | |
| SCHEMBL12396465 | 0.67 | — | — | |
| SCHEMBL12595236 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1891076-B1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2016-01-27 | — | — | EP | disclosed |
| WO-2015051713-A1 | 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRIDIN-2-ONE SPIRO DERIVATIVE, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2015-04-16 | — | — | WO | disclosed |
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |