⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11711070 | 0.97 | — | — | |
| SCHEMBL11600903 | 0.86 | — | — | |
| SCHEMBL11577969 | 0.81 | — | — | |
| SCHEMBL11710675 | 0.79 | — | — | |
| SCHEMBL11708219 | 0.78 | — | — | |
| SCHEMBL192593 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL34476 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL9579030 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL11710796 | 0.74 | CYP3A4 (0.30) | — | |
| SCHEMBL10781134 | 0.74 | TSHR (0.56) | — |
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-0808840-B1 | Process for preparing tribromoneopentyl chloroalkyl phosphates | DAIHACHI CHEM IND (JP) | 2002-02-06 | — | — | EP | disclosed |
| US-5756797-A | REACTING ALKYLENE OXIDE WITH PHOSPHORUS TRICHLORIDE; THEN CHLORINE AND TRIBROMONEOPENTYL ALCOHOL | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0808840-A1 | Process for preparing tribromoneopentyl chloroalkyl phosphates | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-11-26 | — | — | EP | disclosed |