⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8414719 | 0.73 | — | — | |
| Water SCHEMBL7313375 | 0.69 | — | — | |
| SCHEMBL11288453 | 0.69 | TGFBR1 (0.41) | — | |
| SCHEMBL44759 | 0.68 | — | — | |
| Water SCHEMBL28159831 | 0.67 | — | — | |
| SCHEMBL27814506 | 0.65 | — | — | |
| SCHEMBL4137037 | 0.65 | LMNA (0.39) | — | |
| SCHEMBL20915652 | 0.65 | — | — | |
| SCHEMBL25834910 | 0.65 | — | — | |
| Chloroform SCHEMBL27977787 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372754-B1 | DRUGS FOR TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS OR POSTHERPIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-04-16 | — | — | US | disclosed |
| EP-1161419-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000047562-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | disclosed |
| US-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | US | disclosed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | disclosed |