SCHEMBL8620900

SCHEMBL8620900

CC(C)(O)C#Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 2/20 0.39
▸ HAO1 Q9UJM8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGES2 Q9H7Z7 3/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11216394 0.94 ASIC3 (0.41) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL11551623 0.89 HAO1 (0.49) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL12391039 0.89 ASIC3 (0.50) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL22881118 0.82 HRH3 (0.41) MAPTHAO1PTGES2KMT2AATM
SCHEMBL12711667 0.80 APP (0.47) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL14268091 0.80 ASIC3 (0.49) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL700507 0.78 HTT (0.46) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL13692776 0.78 ASIC3 (0.44) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL6865029 0.78 KIF11 (0.45) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL3448180 0.78 APP (0.54) ASIC3L3MBTL1LMNAMAPTHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4223172-A DEHYDROGENATION HALOGENATIVE WITH PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-09-16 — — US claimed
WO-2024240242-A1 COMPOUND CONTAINING AMIDE-SUBSTITUTED AROMATIC RING, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 正大天晴药业集团股份有限公司 2024-11-28 — — WO disclosed
US-11279878-B2 Birefringent liquid crystal composition comprising alkylsulfanylaryl isothiocyanato tolane compounds ESSILOR INTERNATIONAL (FR) 2022-03-22 — — US disclosed
EP-3394206-B1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS ESSILOR INT (FR) 2021-05-05 — — EP disclosed
EP-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 — — EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 — — US disclosed
US-5626792-A DIPHENYLACETYLENE ESTERS, THIOESTERS OR DITHIOESTERS DISPLAYTECH, INC. (US) 1997-05-06 — — US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 — — EP disclosed
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