⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12658528 | 0.77 | ELANE (0.31) | — | |
| SCHEMBL4739928 | 0.77 | — | — | |
| SCHEMBL28986982 | 0.76 | — | — | |
| SCHEMBL11108272 | 0.74 | — | — | |
| SCHEMBL277242 | 0.74 | — | — | |
| SCHEMBL29468563 | 0.74 | — | — | |
| SCHEMBL18038897 | 0.72 | — | — | |
| SCHEMBL14544343 | 0.72 | ESR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL14895306 | 0.72 | LMNA (0.46) | — | |
| SCHEMBL24341707 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102686589-A | Ethynyl derivatives | HOFFMANN LA ROCHE | 2012-09-19 | — | — | CN | disclosed |
| EP-1888532-A1 | HETEROAROYL-SUBSTITUTED SERINE AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006125687-A1 | HETEROAROYL-SUBSTITUTED SERINE AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-30 | — | — | WO | disclosed |
| EP-1135385-A1 | THIOCHROMANOYLPYRAZOLONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-26 | — | — | EP | disclosed |
| EP-1080089-A1 | PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-07 | — | — | EP | disclosed |
| WO-2000034270-A1 | THIOCHROMANOYLPYRAZOLONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | disclosed |
| WO-1999059991-A1 | PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-25 | — | — | WO | disclosed |