⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24171280 | 0.91 | — | — | |
| SCHEMBL21367089 | 0.88 | TDP1 (0.45) | — | |
| SCHEMBL3314240 | 0.80 | — | — | |
| SCHEMBL7116355 | 0.79 | HSD17B10 (0.44) | — | |
| SCHEMBL11399369 | 0.79 | — | — | |
| SCHEMBL17865659 | 0.78 | HSD17B10 (0.41) | — | |
| SCHEMBL21067031 | 0.78 | — | — | |
| SCHEMBL8466765 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL4797472 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL9579440 | 0.75 | HSD17B10 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1117717-C | Method for preparing 5,5,5-trichloro-2-methyl-2-pentene | DALIAN CHEMICAL PHYSICS INST (CN) | 2003-08-13 | — | — | CN | claimed |
| CN-1303842-A | Method for preparing 5,5,5-trichloro-2-methyl-2-pentene | DALIAN CHEMICAL PHYSICS INST (CN) | 2001-07-18 | — | — | CN | claimed |
| US-20240052109-A1 | POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF | ALCON INC. (CH) | 2024-02-15 | — | — | US | disclosed |
| WO-2023148380-A1 | POWDER COATING COMPOSITION | CINARTIS GMBH (DE) | 2023-08-10 | — | — | WO | disclosed |
| WO-2015028543-A1 | STYRYL SULFIDE DYES | BASF SE (DE) | 2015-03-05 | — | — | WO | disclosed |
| US-20120041193-A1 | SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES | FRONTIER SCIENTIFIC, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| CN-1117717-C | Method for preparing 5,5,5-trichloro-2-methyl-2-pentene | DALIAN CHEMICAL PHYSICS INST (CN) | 2003-08-13 | — | — | CN | disclosed |
| CN-1303842-A | Method for preparing 5,5,5-trichloro-2-methyl-2-pentene | DALIAN CHEMICAL PHYSICS INST (CN) | 2001-07-18 | — | — | CN | disclosed |
| US-4067931-A | POLYURETHANE FOAMS | UNIROYAL, INC. (US) | 1978-01-10 | — | — | US | disclosed |